Crystallography Open Database

Result: there are 485 entries in the selection

Switch to the old layout of the page

Download all results as: list of COD numbers | list of CIF URLs | data in CSV format | archive of CIF files (ZIP)

Searching journal of publication like 'The journal of physical chemistry. A'

Left arrow Left arrow First | Left arrow Previous 300 | of 2 | Next 300 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

COD ID Blue up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Up arrow Bibliography
1501669 CIFC97 H69 Cl5 N4 O4 SnP 1 21/n 125.106; 16.854; 37.347
90; 92.653; 90		15786Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi
Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer.
The journal of physical chemistry. A, 2011, 115, 986-997
1501670 CIFC100 H80 N4 O8 SnP -111.4345; 12.6971; 14.1793
103.943; 101.911; 93.6347		1941.03Yokoyama, Atsutoshi; Kojima, Takahiko; Ohkubo, Kei; Shiro, Motoo; Fukuzumi, Shunichi
Formation of a hybrid compound composed of a saddle-distorted Tin(IV)-porphyrin and a Keggin-type heteropolyoxometalate to undergo intramolecular photoinduced electron transfer.
The journal of physical chemistry. A, 2011, 115, 986-997
1501699 CIFC36 H42 N O4 SbP 1 21/n 113.5746; 15.9506; 15.0855
90; 97.841; 90		3235.8Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A.
Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen.
The journal of physical chemistry. A, 2011, 115, 8271-8281
1501700 CIFC37 H45 N2 O3 SbP -110.0526; 11.8361; 14.5638
88.56; 82.17; 68.61		1597.88Fukin, Georgy K.; Baranov, Evgenii V.; Jelsch, Christian; Guillot, Benoît; Poddel'sky, Andrey I.; Cherkasov, Vladimir K.; Abakumov, Gleb A.
Experimental and theoretical investigation of topological and energetic characteristics of Sb complexes reversibly binding molecular oxygen.
The journal of physical chemistry. A, 2011, 115, 8271-8281
1501701 CIFC46 H58 N8 O6 Si7P 1 21/n 19.3149; 26.6012; 11.3777
90; 111.083; 90		2630.5Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.
Long, directional interactions in cofacial silicon phthalocyanine oligomers.
The journal of physical chemistry. A, 2011, 115, 12474-12485
1501702 CIFC78 H74 N16 O7 Si8P 1 21/n 113.1488; 22.8889; 27.0083
90; 99.438; 90		8018.4Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.
Long, directional interactions in cofacial silicon phthalocyanine oligomers.
The journal of physical chemistry. A, 2011, 115, 12474-12485
1501703 CIFC110 H90 N24 O8 Si9P -113.421; 14.371; 14.662
85.17; 68.66; 83.53		2614Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.
Long, directional interactions in cofacial silicon phthalocyanine oligomers.
The journal of physical chemistry. A, 2011, 115, 12474-12485
1501704 CIFC149 H114 N32 O9 Si10P 1 21/n 113.6979; 26.0454; 36.932
90; 94.737; 90		13131.1Yang, Yang; Samas, Brian; Kennedy, Vance O.; Macikenas, Dainius; Chaloux, Brian L.; Miller, Jacob A.; Speer, Jr, Richard L; Protasiewicz, John; Pinkerton, A. Alan; Kenney, Malcolm E.
Long, directional interactions in cofacial silicon phthalocyanine oligomers.
The journal of physical chemistry. A, 2011, 115, 12474-12485
1501705 CIFC50 H42 N4 O4P 1 21/c 114.214; 20.356; 13.807
90; 106.48; 90		3830.8Mutoh, Katsuya; Abe, Jiro
Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers.
The journal of physical chemistry. A, 2011, 115, 4650-4656
1501706 CIFC52 H44 Cl6 N4 O4P -112.8243; 13.389; 15.859
79.107; 75.49; 63.12		2342.3Mutoh, Katsuya; Abe, Jiro
Comprehensive understanding of structure- photosensitivity relationships of photochromic [2.2]paracyclophane-bridged imidazole dimers.
The journal of physical chemistry. A, 2011, 115, 4650-4656
1501708 CIFC10 H13 N3 O2 SP b c a11.0859; 13.0805; 15.8132
90; 90; 90		2293.06Farrugia, Louis J.; Khalaji, Aliakbar Dehno
Evidence for side-chain π-delocalization in a planar substituted benzene: an experimental and theoretical charge density study on 2,5-dimethoxybenzaldehyde thiosemicarbazone.
The journal of physical chemistry. A, 2011, 115, 12512-12522
1501709 CIFC16 H18 Cl2 N4 O11P 1 21/c 116.8233; 6.6778; 18.9912
90; 101.312; 90		2092.07Hao, Erhong; Meng, Ting; Zhang, Min; Pang, Weidong; Zhou, Yunyou; Jiao, Lijuan
Solvent dependent fluorescent properties of a 1,2,3-triazole linked 8-hydroxyquinoline chemosensor: tunable detection from zinc(II) to iron(III) in the CH3CN/H2O system.
The journal of physical chemistry. A, 2011, 115, 8234-8241
1501719 CIFC42 H23 B F24 N2P 1 21/n 113.1238; 18.615; 18.123
90; 100.884; 90		4347.8Kong, S.; Borissova, A. O.; Lesnichin, S. B.; Hartl, M.; Daemen, L. L.; Eckert, J.; Antipin, M. Yu; Shenderovich, I. G.
Geometry and spectral properties of the protonated homodimer of pyridine in the liquid and solid states. A combined NMR, X-ray diffraction and inelastic neutron scattering study.
The journal of physical chemistry. A, 2011, 115, 8041-8048
1501720 CIFC28 H23 N O2P 1 21/c 111.7245; 11.2382; 32.084
90; 100.429; 90		4157.6Chudomel, J. Matthew; Yang, Boqian; Barnes, Michael D.; Achermann, Marc; Mague, Joel T.; Lahti, Paul M.
Highly twisted triarylamines for photoinduced intramolecular charge transfer.
The journal of physical chemistry. A, 2011, 115, 8361-8368
1501721 CIFC5 H10 N2 S2C 1 2/c 110.3212; 8.8807; 7.5565
90; 93.299; 90		691.48Bushmarinov, I. S.; Fedyanin, I. V.; Lyssenko, K. A.; Lapteva, V. L.; Pisarev, S. A.; Palyulin, V. A.; Zefirov, N. S.; Antipin, M. Yu
The "hockey sticks" effect revisited: the conformational and electronic properties of 3,7-dithia-1,5-diazabicyclo[3.3.1]nonane from the QTAIM perspective.
The journal of physical chemistry. A, 2011, 115, 12738-12745
1501722 CIFC9 H10 Cl N OP 1 21/c 16.858; 7.636; 18.221
90; 92.605; 90		953.2Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.
The journal of physical chemistry. A, 2011, 115, 7834-7848
1501723 CIFC9 H10 Cl N OP 1 21/c 17.705; 7.146; 17.57
90; 100.15; 90		952Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.
The journal of physical chemistry. A, 2011, 115, 7834-7848
1501724 CIFC9 H10 Cl N OP n m a13.383; 6.769; 10.267
90; 90; 90		930.1Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.
The journal of physical chemistry. A, 2011, 115, 7834-7848
1501725 CIFC13 H10 Cl N OP 21 21 216.0806; 12.2086; 15.577
90; 90; 90		1156.37Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.
The journal of physical chemistry. A, 2011, 115, 7834-7848
1501726 CIFC13 H10 Cl N OP 1 21/c 111.754; 5.765; 16.944
90; 94.743; 90		1144.2Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.
The journal of physical chemistry. A, 2011, 115, 7834-7848
1501727 CIFC13 H10 Cl N OP -15.3862; 7.8721; 13.6512
106.554; 98.414; 90.624		548.013Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.
The journal of physical chemistry. A, 2011, 115, 7834-7848
1501728 CIFC20 H32 Cl N OP 1 21/n 16.1089; 9.7134; 34.042
90; 91.716; 90		2019.1Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.
The journal of physical chemistry. A, 2011, 115, 7834-7848
1501729 CIFC9 H9 Cl2 N OP -17.034; 7.673; 10.57
83.42; 70.6; 82.082		532Naumov, Panče; Topcu, Yildiray; Eckert-Maksić, Mirjana; Glasovac, Zoran; Pavošević, Fabijan; Kochunnoonny, Manoj; Hara, Hideyuki
Photoinduced rearrangement of aromatic N-chloroamides to chloroaromatic amides in the solid state: inverted Π(N)-Σ(N) occupational stability of amidyl radicals.
The journal of physical chemistry. A, 2011, 115, 7834-7848
1501730 CIFC5 H17 B5 N2 O10P 1 21/c 19.5031; 14.1216; 10.4957
90; 90.586; 90		1408.44Hathwar, Venkatesha R.; Paul, Avijit Kumar; Natarajan, Srinivasan; Row, Tayur N Guru
Charge density analysis of a pentaborate ion in an ammonium borate: toward the understanding of topological features in borate minerals.
The journal of physical chemistry. A, 2011, 115, 12818-12825
1501731 CIFC22 H12 O2 SP 1 21/n 19.3541; 7.8376; 21.571
90; 93.994; 90		1577.6Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501732 CIFC22 H12 O2 SP 1 21/n 19.4963; 8.0181; 21.3804
90; 94.107; 90		1623.77Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501733 CIFC22 H12 O2 SP 1 21/n 19.4963; 8.0181; 21.3804
90; 94.107; 90		1623.77Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501734 CIFC22 H12 O2 SP 1 21/n 19.5862; 8.1401; 21.2445
90; 94.236; 90		1653.24Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501735 CIFC22 H12 O2 SP 1 21/n 19.6404; 8.2037; 21.187
90; 94.384; 90		1670.7Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501736 CIFC22 H12 O2 SP 1 21/n 19.6444; 8.216; 21.172
90; 94.206; 90		1673.1Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501737 CIFC22 H12 O2 SP 1 21/n 19.656; 8.247; 21.156
90; 94.6; 90		1679.3Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501738 CIFC28 H16 O2P 1 21/n 110.1199; 8.2949; 11.6257
90; 109.455; 90		920.2Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501739 CIFC28 H16 O2P 1 21/n 110.1822; 8.4359; 11.6494
90; 109.537; 90		943.03Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501740 CIFC28 H16 O2P 1 21/n 110.2391; 8.5602; 11.6621
90; 109.646; 90		962.67Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501741 CIFC28 H16 O2P 1 21/n 110.2759; 8.6249; 11.6667
90; 109.729; 90		973.31Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501742 CIFC28 H16 O2P 1 21/n 110.2832; 8.6313; 11.6644
90; 109.758; 90		974.35Naumov, Panče; Ishizawa, Nobuo; Wang, Jun; Pejov, Ljupčo; Pumera, Martin; Lee, Sang Cheol
On the origin of the solid-state thermochromism and thermal fatigue of polycyclic overcrowded enes.
The journal of physical chemistry. A, 2011, 115, 8563-8570
1501744 CIFC56 H38 N4P -112.15; 13.307; 14.206
64.599; 71.92; 74.904		1950.5Yamashita, Hiroaki; Abe, Jiro
Photochromic properties of [2.2]paracyclophane-bridged imidazole dimer with increased photosensitivity by introducing pyrenyl moiety.
The journal of physical chemistry. A, 2011, 115, 13332-13337
1501745 CIFC11 H8 N4 SC 1 2/c 110.97; 8.986; 20.881
90; 103.66; 90		2000.2Nakanishi, Waro; Hayashi, Satoko; Pitak, Mateusz B.; Hursthouse, Michael B.; Coles, Simon J.
Dynamic and static behaviors of N-Z-N σ(3c-4e) (Z = S, Se, and Te) interactions: atoms-in-molecules dual functional analysis with high-resolution X-ray diffraction determination of electron densities for 2-(2-pyridylimino)-2H-1,2,4-thiadiazolo[2,3-a]pyridine.
The journal of physical chemistry. A, 2011, 115, 11775-11787
1501750 CIFC13 H18 N2C 1 2/c 116.649; 14.441; 20.354
90; 92.7; 90		4888.2Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.
Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.
The journal of physical chemistry. A, 2011, 115, 10823-10845
1501751 CIFC11 H9 N3P -17.947; 8.13; 8.153
85.9; 76.26; 64.85		462.9Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.
Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.
The journal of physical chemistry. A, 2011, 115, 10823-10845
1501752 CIFC12 H13 N3P 1 21/c 17.462; 10.6319; 14.242
90; 102.453; 90		1103.31Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.
Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.
The journal of physical chemistry. A, 2011, 115, 10823-10845
1501753 CIFC12 H13 N3P 1 21/c 110.2495; 6.8618; 15.9772
90; 101.686; 90		1100.39Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.
Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.
The journal of physical chemistry. A, 2011, 115, 10823-10845
1501754 CIFC12 H13 N3P 1 21/n 18.9832; 12.6212; 9.6863
90; 92.414; 90		1097.25Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.
Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.
The journal of physical chemistry. A, 2011, 115, 10823-10845
1501755 CIFC10 H9 N3P -18.0083; 8.1614; 8.1965
85.25; 62.613; 74.373		457.56Galievsky, Victor A.; Druzhinin, Sergey I.; Demeter, Attila; Kovalenko, Sergey A.; Senyushkina, Tamara; Mayer, Peter; Zachariasse, Klaas A.
Presence and absence of excited state intramolecular charge transfer with the six isomers of dicyano-N,N-dimethylaniline and dicyano-(N-methyl-N-isopropyl)aniline.
The journal of physical chemistry. A, 2011, 115, 10823-10845
1501756 CIFCl4 Cs2 O2 UC 1 2/m 111.7882; 7.6411; 5.7686
90; 100.438; 90		511.01Zhurov, Vladimir V.; Zhurova, Elizabeth A.; Stash, Adam I.; Pinkerton, A. Alan
Characterization of bonding in cesium uranyl chloride: topological analysis of the experimental charge density.
The journal of physical chemistry. A, 2011, 115, 13016-13023
1501759 CIFC10 H16 N6 O4P b c a16.138; 7.0036; 22.75
90; 90; 90		2571.3Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501760 CIFC18 H14 N4 O4P 1 21/c 110.9187; 10.9859; 14.7065
90; 109.838; 90		1659.38Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501761 CIFC18 H14 N4 O4P 1 21/n 19.2057; 9.0165; 21.1691
90; 102.445; 90		1715.82Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501762 CIFC18 H14 N4 O4P -17.865; 9.6359; 23.304
89.901; 88.777; 70.877		1668.26Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501763 CIFC20 H18 N4 O4P -19.6792; 10.0246; 10.2564
108.14; 97.415; 104.581		891.7Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501764 CIFC20 H30 N4 O4P n m a11.6274; 6.7904; 26.582
90; 90; 90		2098.8Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501765 CIFC12 H18 N4 O4P 1 21/c 18.3647; 21.533; 7.79
90; 92.707; 90		1401.5Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501766 CIFC14 H24 N6 O4P 1 21/c 112.7313; 15.6701; 9.4477
90; 110.843; 90		1761.48Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501767 CIFC10 H12 Cl2 N4 O6P 1 21/n 110.3054; 4.4342; 32.6413
90; 97.77; 90		1477.89Lee, Jong Hoon; Naumov, Pance; Chung, Ihn Hee; Lee, Sang Cheol
Solid-state thermochromism and phase transitions of charge transfer 1,3-diamino-4,6-dinitrobenzene dyes.
The journal of physical chemistry. A, 2011, 115, 10087-10096
1501771 CIFC463.98 H239.98 N32 O313.66 Zn52F m -3 m26.4461; 26.4461; 26.4461
90; 90; 90		18496.3Larsen, Randy W.; Miksovska, Jaroslava; Musselman, Ronald L.; Wojtas, Lukasz
Ground- and excited-state properties of Zn(II) tetrakis(4-tetramethylpyridyl) pophyrin specifically encapsulated within a Zn(II) HKUST metal-organic framework.
The journal of physical chemistry. A, 2011, 115, 11519-11524
1501774 CIFC29 H25 F4 N8 S2P -17.6537; 12.4352; 16.3279
73.674; 85.27; 76.176		1447.96von Eschwege, Karel G.; Conradie, Jeanet; Kuhn, Annemarie
Dithizone and Its oxidation products: a DFT, spectroscopic, and X-ray structural study.
The journal of physical chemistry. A, 2011, 115, 14637-14646
1502675 CIFB F3 H3 NP b c a8.0067; 7.9511; 9.2216
90; 90; 90		587.07Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter
Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.
The journal of physical chemistry. A, 2010, 114, 10185-10196
1502676 CIFB H7 N2P b c n12.974; 5.0702; 9.5069
90; 90; 90		625.37Mebs, Stefan; Grabowsky, Simon; Förster, Diana; Kickbusch, Rainer; Hartl, Monika; Daemen, Luke L.; Morgenroth, Wolfgang; Luger, Peter; Paulus, Beate; Lentz, Dieter
Charge transfer via the dative N-B bond and dihydrogen contacts. Experimental and theoretical electron density studies of small Lewis acid-base adducts.
The journal of physical chemistry. A, 2010, 114, 10185-10196
1502678 CIFC44 H40 N2 O4P -18.4011; 10.7176; 11.4368
67.813; 83.709; 67.757		881.89Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem
Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.
The journal of physical chemistry. A, 2010, 114, 7377-7381
1502679 CIFC44 H40 N2 O4P -18.4065; 10.7888; 11.3346
66.999; 86.542; 67.967		872.67Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem
Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.
The journal of physical chemistry. A, 2010, 114, 7377-7381
1502680 CIFC44 H40 N2 O4P -18.4124; 10.7275; 11.4652
67.875; 84.032; 67.981		887.73Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem
Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.
The journal of physical chemistry. A, 2010, 114, 7377-7381
1502681 CIFC44 H40 N2 O4P -18.4248; 10.8144; 11.364
66.894; 86.649; 68.06		878.61Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem
Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.
The journal of physical chemistry. A, 2010, 114, 7377-7381
1502682 CIFC44 H40 N2 O4P -18.4113; 10.8816; 11.4046
65.404; 86.157; 66.822		866.65Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem
Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.
The journal of physical chemistry. A, 2010, 114, 7377-7381
1502683 CIFC44 H40 N2 O4P -18.3944; 10.8552; 11.3656
65.502; 86.065; 66.745		860.25Cao, Deng-Ke; Sreevidya, Thekku Veedu; Botoshansky, Mark; Golden, Gilad; Benedict, Jason Brown; Kaftory, Menahem
Kinetics of solid state photodimerization of 1,4-dimethyl-2-pyridinone in its molecular compound.
The journal of physical chemistry. A, 2010, 114, 7377-7381
1502703 CIFF N3 O2 SC 1 c 17.0017; 13.5124; 5.017
90; 121.37; 90		405.27Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge
Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3).
The journal of physical chemistry. A, 2010, 114, 7624-7630
1502704 CIFC F3 N3 O2 SP 1 21/c 15.0666; 17.0136; 7.0041
90; 106.13; 90		579.99Zeng, Xiaoqing; Gerken, Michael; Beckers, Helmut; Willner, Helge
Anomeric effects in sulfonyl compounds: an experimental and computational study of fluorosulfonyl azide, FSO(2)N(3), and trifluoromethylsulfonyl azide, CF(3)SO(2)N(3).
The journal of physical chemistry. A, 2010, 114, 7624-7630
1502705 CIFC23 H28 N2P 1 21/n 110.296; 11.5493; 17.6364
90; 100.126; 90		2064.5Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P.
Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties.
The journal of physical chemistry. A, 2010, 114, 6766-6775
1502706 CIFC27 H32 N2P -16.8351; 7.4409; 24.397
89.25; 85.685; 69.736		1160.61Cruz, A. J.; Siam, K.; Moore, C.; Islam, M.; Rillema, D. P.
Dicyano and pyridine derivatives of retinal: synthesis and vibronic, electronic, and photophysical properties.
The journal of physical chemistry. A, 2010, 114, 6766-6775
1502714 CIFC12 O12 Ru3P 1 21/n 17.9959; 14.6373; 14.3746
90; 100.578; 90		1653.79Gervasio, Giuliana; Marabello, Domenica; Bianchi, Riccardo; Forni, Alessandra
Detection of weak intramolecular interactions in Ru(3)(CO)(12) by topological analysis of charge density distributions.
The journal of physical chemistry. A, 2010, 114, 9368-9373
1502721 CIFC4 H9 Li2 Mo N O9C 1 2/m 113.0031; 14.4347; 5.1506
90; 96.347; 90		960.82Deb, Dibakar; Giri, Santanab; Chattaraj, Pratim K.; Bhattacharjee, Manish
Synthesis and structure of a 3D porous network containing aromatic 1D chains of Li(6) rings: experimental and computational studies.
The journal of physical chemistry. A, 2010, 114, 10871-10877
1502722 CIFC7 H8 N2 OC 1 2/c 119.7305; 7.5421; 19.521
90; 108.659; 90		2752.22Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502723 CIFC8 H10 N2 OP -17.76; 8.5323; 12.8473
86.484; 86.143; 70.363		798.66Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502724 CIFC8 H10 N2 OP c c n12.7255; 15.1322; 8.1552
90; 90; 90		1570.4Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502725 CIFC9 H12 N2 OP 1 21/c 116.3623; 9.5058; 12.8922
90; 112.879; 90		1847.46Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502726 CIFC9 H12 N2 OC 1 2/c 115.0714; 9.4669; 12.7208
90; 90.861; 90		1814.8Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502727 CIFC10 H14 N2 OR 3 c :H23.5657; 23.5657; 9.5946
90; 90; 120		4614.43Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502728 CIFC10 H14 N2 OP 1 21/n 19.8731; 10.0067; 30.9126
90; 95.154; 90		3041.73Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502729 CIFC11 H16 N2 OP b c a11.0135; 10.1491; 19.8528
90; 90; 90		2219.09Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502730 CIFC16 H20 N2 OP c c n9.8846; 27.5538; 9.9296
90; 90; 90		2704.41Ośmiałowski, Borys; Kolehmainen, Erkki; Dobosz, Robert; Gawinecki, Ryszard; Kauppinen, Reijo; Valkonen, Arto; Koivukorpi, Juha; Rissanen, Kari
Self-organization of 2-acylaminopyridines in the solid state and in solution.
The journal of physical chemistry. A, 2010, 114, 10421-10426
1502732 CIFC21 H17 N OP 1 21/c 18.966; 18.422; 10.4846
90; 116.327; 90		1552.1Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek
Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents.
The journal of physical chemistry. A, 2010, 114, 12028-12041
1502733 CIFC38.5 H38.75 F12 N3.25 O0.5 P2P -18.0652; 13.81; 20.684
106.539; 99.424; 96.092		2150.1Coe, Benjamin J.; Fielden, John; Foxon, Simon P.; Helliwell, Madeleine; Brunschwig, Bruce S.; Asselberghs, Inge; Clays, Koen; Olesiak, Joanna; Matczyszyn, Katarzyna; Samoc, Marek
Quadratic and cubic nonlinear optical properties of salts of diquat-based chromophores with diphenylamino substituents.
The journal of physical chemistry. A, 2010, 114, 12028-12041
1502736 CIFC24 H25 N O2P 21 21 216.1987; 16.054; 20.033
90; 90; 90		1993.6Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J.
Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases.
The journal of physical chemistry. A, 2010, 114, 12522-12530
1502737 CIFC24 H25 N O3P 1 21 111.414; 8.499; 11.529
90; 115.28; 90		1011.3Jaworska, Magdalena; Hrynczyszyn, Paweł B; Wełniak, Mirosław; Wojtczak, Andrzej; Nowicka, Katarzyna; Krasiński, Grzegorz; Kassassir, Hassan; Ciesielski, Włodzimierz; Potrzebowski, Marek J.
Solid state NMR spectroscopy as a precise tool for assigning the tautomeric form and proton position in the intramolecular bridges of o-hydroxy Schiff bases.
The journal of physical chemistry. A, 2010, 114, 12522-12530
1502739 CIFC12 H4 Fe3 O11P 1 21/c 17.4672; 16.4731; 13.7414
90; 103.927; 90		1640.61Farrugia, Louis J.; Senn, Hans Martin
Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10.
The journal of physical chemistry. A, 2010, 114, 13418-13433
1502740 CIFC12 H4 Fe3 O11P 1 21/c 17.4672; 16.4731; 13.7414
90; 103.927; 90		1640.61Farrugia, Louis J.; Senn, Hans Martin
Metal-metal and metal-ligand bonding at a QTAIM catastrophe: a combined experimental and theoretical charge density study on the alkylidyne cluster Fe3(μ-H)(μ-COMe)(CO)10.
The journal of physical chemistry. A, 2010, 114, 13418-13433
1502741 CIFC10 H8 Cl N OP -17.088; 7.22; 9.14
92.55; 106.95; 110.32		414Hathwar, Venkatesha R.; Guru Row, Tayur N.
Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.
The journal of physical chemistry. A, 2010, 114, 13434-13441
1502742 CIFC5 H4 Cl N OF d d 223.1021; 25.1758; 3.7363
90; 90; 90		2173.08Hathwar, Venkatesha R.; Guru Row, Tayur N.
Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.
The journal of physical chemistry. A, 2010, 114, 13434-13441
1502743 CIFC11 H9 Cl2 NP 1 21/c 114.98; 4.5662; 14.858
90; 94.87; 90		1012.6Hathwar, Venkatesha R.; Guru Row, Tayur N.
Nature of Cl···Cl intermolecular interactions via experimental and theoretical charge density analysis: correlation of polar flattening effects with geometry.
The journal of physical chemistry. A, 2010, 114, 13434-13441
1502744 CIFC20 H14 OP 1 2/c 112.8954; 5.5486; 20.0322
90; 106.472; 90		1374.51Schwerin, Andrew F.; Johnson, Justin C.; Smith, Millicent B.; Sreearunothai, Paiboon; Popović, Duska; Cerný, Jirí; Havlas, Zdenek; Paci, Irina; Akdag, Akin; MacLeod, Matthew K.; Chen, Xudong; David, Donald E.; Ratner, Mark A.; Miller, John R.; Nozik, Arthur J.; Michl, Josef
Toward designed singlet fission: electronic states and photophysics of 1,3-diphenylisobenzofuran.
The journal of physical chemistry. A, 2010, 114, 1457-1473
1502745 CIFC18 H14 N2 O4P 1 21/n 119.3408; 3.8902; 20.212
90; 90.594; 90		1520.7Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru
Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals.
The journal of physical chemistry. A, 2010, 114, 172-182
1502746 CIFC18 H14 N2 O4P -16.3063; 10.8492; 12.374
107.847; 98.976; 103.827		758.1Sonoda, Yoriko; Tsuzuki, Seiji; Goto, Midori; Tohnai, Norimitsu; Yoshida, Masaru
Fluorescence spectroscopic properties of nitro-substituted diphenylpolyenes: effects of intramolecular planarization and intermolecular interactions in crystals.
The journal of physical chemistry. A, 2010, 114, 172-182
1502760 CIFC47 H49 N3P b c a11.408; 25.189; 28.093
90; 90; 90		8073Suwa, Kazuya; Otsuki, Joe; Goto, Kei
Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines.
The journal of physical chemistry. A, 2010, 114, 884-890
1502761 CIFC61 H61 N3P -111.4828; 12.8037; 17.557
103.938; 103.837; 98.1698		2377.3Suwa, Kazuya; Otsuki, Joe; Goto, Kei
Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines.
The journal of physical chemistry. A, 2010, 114, 884-890
1502762 CIFC61 H61 N3 OP -113.967; 17.661; 20.091
95.541; 99.166; 96.727		4825Suwa, Kazuya; Otsuki, Joe; Goto, Kei
Photoisomerization and thermal isomerization of shuttlecock- and bowl-equipped (phenylazo)pyridines.
The journal of physical chemistry. A, 2010, 114, 884-890
1504353 CIFC32 H16 F18 N3 O6 SmP -111.5889; 17.5357; 18.8203
79.3974; 84.1179; 88.0187		3739.08Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi
Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination.
The journal of physical chemistry. A, 2008, 112, 803-807
1504354 CIFC41 H22 F18 N5 O6 SmP 1 21/n 111.69; 19.656; 20.63
90; 93.412; 90		4731.9Hasegawa, Yasuchika; Tsuruoka, Shin-ichi; Yoshida, Takahiko; Kawai, Hideki; Kawai, Tsuyoshi
Enhanced deep-red luminescence of tris(hexafluoroacetylacetonato)samarium(III) complex with phenanthroline in solution by control of ligand coordination.
The journal of physical chemistry. A, 2008, 112, 803-807
1504356 CIFC15 H22 N2P 1 21 17.815; 22.2685; 8.2607
90; 102.73; 90		1402.26Druzhinin, Sergey I.; Dubbaka, Srinivas Reddy; Knochel, Paul; Kovalenko, Sergey A.; Mayer, Peter; Senyushkina, Tamara; Zachariasse, Klaas A.
Ultrafast intramolecular charge transfer with strongly twisted aminobenzonitriles: 4-(di-tert-butylamino)benzonitrile and 3-(di-tert-butylamino)benzonitrile.
The journal of physical chemistry. A, 2008, 112, 2749-2761
1504358 CIFC8 H18 F6 O6 P2 S2R -3 m :H9.1795; 9.1795; 17.7956
90; 90; 120		1298.62Wolstenholme, David J.; Weigand, Jan J.; Davidson, Reagan J.; Pearson, Jason K.; Cameron, T. Stanley
Understanding the electronic structure, reactivity, and hydrogen bonding for a 1,2-diphosphonium dication.
The journal of physical chemistry. A, 2008, 112, 3424-3431
1504359 CIFC28 H24 Cl2 N2 PtP 1 21/c 116.2361; 9.511; 17.9203
90; 114.692; 90		2514.26Shao, Pin; Li, Yunjing; Sun, Wenfang
Cyclometalated platinum(II) complex with strong and broadband nonlinear optical response.
The journal of physical chemistry. A, 2008, 112, 1172-1179
1504360 CIFC11 H10 Fe OP 21 21 217.639; 10.518; 11.3
90; 90; 90		907.9Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas
Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)].
The journal of physical chemistry. A, 2008, 112, 2977-2987
1504361 CIFC12 H14 FeP 1 21/a 110.954; 7.526; 12.334
90; 102.81; 90		991.5Lousada, Claudio M.; Pinto, Susana S.; Lopes, José N Canongia; da Piedade, M. Fatima Minas; Diogo, Hermínio P; da Piedade, Manuel E Minas
Experimental and molecular dynamics simulation study of the sublimation and vaporization energetics of iron metalocenes. crystal structures of Fe(eta5-C5H4CH3)2 and Fe[(eta5-(C5H5)(eta5-C5H4CHO)].
The journal of physical chemistry. A, 2008, 112, 2977-2987
1504362 CIFC38 H46 Cu N20 O6P -18.096; 9.908; 15.278
96.055; 92.863; 112.48		1120.6Yamamura, Yasuhisa; Shimoi, Hiroyasu; Sumita, Masato; Yasuzuka, Syuma; Adachi, Keiichi; Fuyuhiro, Akira; Kawata, Satoshi; Saito, Kazuya
Calorimetric study of correlated disordering in [Hdamel]2[Cu(II)(tdpd)2] x 2 THF crystal.
The journal of physical chemistry. A, 2008, 112, 4465-4469
1504369 CIFC29 H21 N3 S3P 1 21/c 113.4193; 10.3767; 17.7646
90; 97.4801; 90		2452.6Nakagawa, Tetsuya; Hasegawa, Yasuchika; Kawai, Tsuyoshi
Photoresponsive europium(III) complex based on photochromic reaction.
The journal of physical chemistry. A, 2008, 112, 5096-5103
1504370 CIFC5 H7 O2P b c n9.064; 9.227; 11.456
90; 90; 90		958.1Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504371 CIFC5 H7 O2P b c n9.062; 9.216; 11.411
90; 90; 90		953Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504372 CIFC5 H7 O2P b c n9.079; 9.247; 11.464
90; 90; 90		962.4Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504373 CIFC5 H7 O2P b c n9.099; 9.225; 11.495
90; 90; 90		964.9Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504374 CIFC5 H7 O2P b c n9.12; 9.359; 11.817
90; 90; 90		1008.6Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504375 CIFC10 H14 O4P b c n9.0859; 9.2413; 11.465
90; 90; 90		962.7Piccoli, Paula M. B.; Koetzle, Thomas F.; Schultz, Arthur J.; Zhurova, Elizabeth A.; Stare, Jernej; Pinkerton, A. Alan; Eckert, Juergen; Hadzi, Dusan
Variable temperature neutron diffraction and X-ray charge density studies of tetraacetylethane.
The journal of physical chemistry. A, 2008, 112, 6667-6677
1504377 CIFC4 H8 N2 S2C 1 2/c 112.1589; 4.788; 10.7556
90; 102.048; 90		612.36Bushmarinov, Ivan S.; Antipin, Mikhail Yu; Akhmetova, Vnira R.; Nadyrgulova, Guzel R.; Lyssenko, Konstantin A.
Stereoelectronic effects in N-C-S and N-N-C systems: experimental and ab initio AIM study.
The journal of physical chemistry. A, 2008, 112, 5017-5023
1504388 CIFC20 H11 Au0.57 N6 Ni0.43 O2 S4P 1 21/c 112.191; 26.626; 7.2551
90; 103.22; 90		2292.6Ren, Xiaoming; Sui, Yunxia; Liu, Guangxiang; Xie, Jingli
Observation of intermolecular charge transfer in a quasi-one-dimensional molecular alloy system.
The journal of physical chemistry. A, 2008, 112, 8009-8014
1504401 CIFC65 H59.5 B2 F7 Ni O P3P -113.318; 13.946; 17.017
76.88; 68.233; 83.948		2857.9Saraev, V. V.; Kraikivskii, P. B.; Svoboda, I.; Kuzakov, A. S.; Jordan, R. F.
Synthesis, molecular structure, and EPR analysis of the three-coordinate Ni(I) complex [Ni(PPh3)3][BF4].
The journal of physical chemistry. A, 2008, 112, 12449-12455
1504405 CIFC12 H8 N2P 1 21/n 17.472; 8.749; 13.864
90; 102.48; 90		884.9Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A.
Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.
The journal of physical chemistry. A, 2008, 112, 8238-8253
1504406 CIFC11 H8 N2F d d 212.839; 11.055; 12.213
90; 90; 90		1733.5Druzhinin, Sergey I.; Kovalenko, Sergey A.; Senyushkina, Tamara A.; Demeter, Attila; Machinek, Reinhard; Noltemeyer, Mathias; Zachariasse, Klaas A.
Intramolecular charge transfer with the planarized 4-cyanofluorazene and its flexible counterpart 4-cyano-N-phenylpyrrole. Picosecond fluorescence decays and femtosecond excited-state absorption.
The journal of physical chemistry. A, 2008, 112, 8238-8253
1504407 CIFC6 H16 Cu2 N4 O6P b c a8.3395; 8.5023; 17.1507
90; 90; 90		1216.07Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
1504408 CIFC6 H16 Cu2 N4 O6P b c a8.3459; 8.5084; 17.1684
90; 90; 90		1219.13Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
1504409 CIFC6 H16 Cu2 N4 O8P 1 21/c 18.8024; 8.0562; 9.2531
90; 104.818; 90		634.35Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
1504410 CIFC8 H18 Cu2 N2 O6P 1 21/c 18.4758; 8.7735; 8.3445
90; 99.616; 90		611.8Farrugia, Louis J.; Middlemiss, Derek S.; Sillanpää, Reijo; Seppälä, Petri
A combined experimental and theoretical charge density study of the chemical bonding and magnetism in 3-amino-propanolato Cu(II) complexes containing weakly coordinated anions.
The journal of physical chemistry. A, 2008, 112, 9050-9067
1504411 CIFC18 H15 Au Cl PP 21 21 2110.1077; 12.2492; 12.9943
90; 90; 90		1608.84Borissova, Alexandra O.; Korlyukov, Alexander A.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.
Estimation of dissociation energy in donor-acceptor complex AuCl x PPh3 via topological analysis of the experimental electron density distribution function.
The journal of physical chemistry. A, 2008, 112, 11519-11522
1504412 CIFC18 H16 N2 S4P -19.894; 13.952; 14.722
106.546; 106.556; 103.482		1754.7Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie
Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.
The journal of physical chemistry. A, 2008, 112, 13672-13678
1504413 CIFC19 H17 F3 N2 O3 S5P -19.127; 11.4047; 11.902
71.207; 82.276; 79.411		1149.1Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie
Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.
The journal of physical chemistry. A, 2008, 112, 13672-13678
1504414 CIFC17 H13 F3 N2 O3 S5C 1 2/c 121.068; 14.014; 14.368
90; 106.74; 90		4062.3Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie
Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.
The journal of physical chemistry. A, 2008, 112, 13672-13678
1504415 CIFC33 H30 Cl2 N4 O9 S8P -112.3485; 13.1326; 15.2098
69.981; 67.801; 62.584		1984.2Yu, Lei; Zhu, Qin-Yu; Zhang, Yong; Lei, Zhi-Xin; Niu, Gai-Yan; Dai, Jie
Proton effects on diazafluorene derivatives with sulfur-rich substituents, a structural, spectroscopic and theoretical study.
The journal of physical chemistry. A, 2008, 112, 13672-13678
1505059 CIFCl H4 N OP 1 21/n 16.8955; 5.9218; 7.2123
90; 114.141; 90		268.75Nelyubina, Yulia V.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.
Are halide...halide contacts a feature of rock-salts only?
The journal of physical chemistry. A, 2007, 111, 1091-1095
1505060 CIFC51 H31 Eu F18 O8 P2P 1 21/n 113.3063; 31.7409; 13.5077
90; 110.924; 90		5328.81Nakamura, Kazuki; Hasegawa, Yasuchika; Kawai, Hideki; Yasuda, Naoki; Kanehisa, Nobuko; Kai, Yasushi; Nagamura, Toshihiko; Yanagida, Shozo; Wada, Yuji
Enhanced lasing properties of dissymmetric Eu(III) complex with bidentate phosphine ligands.
The journal of physical chemistry. A, 2007, 111, 3029-3037
1505063 CIFC8 H18 N4 S2P -15.8915; 6.8875; 8.2113
73.895; 79.228; 85.917		314.412Munshi, Parthapratim; Cameron, Elinor; Row, Tayur N Guru; Ferrara, Joseph D.; Cameron, T. Stanley
Investigation of inter-ion interactions in N,N,N',N'-tetramethylethylenediammonium dithiocyanate via experimental and theoretical charge density studies.
The journal of physical chemistry. A, 2007, 111, 7888-7897
1505065 CIFC6 H7 N3 O2P 21 21 213.759; 10.307; 17.29
90; 90; 90		669.9Kolev, Tsonko; Koleva, Bojidarka B.; Spiteller, Michael; Mayer-Figge, Heike; Sheldrick, William S.
2-amino-4-nitroaniline, a known compound with unexpected properties.
The journal of physical chemistry. A, 2007, 111, 10084-10089
1505093 CIFC48 H52 N4 O16 Re4P 1 21/n 19.2803; 18.613; 15.189
90; 93.9; 90		2617.6Thanasekaran, P.; Wu, Jing-Yun; Manimaran, Bala; Rajendran, T.; Chang, I-Jy; Rajagopal, S.; Lee, Gene-Hsiang; Peng, Shie-Ming; Lu, Kuang-Lieh
Aggregate of alkoxy-bridged Re(I)-rectangles as a probe for photoluminescence quenching.
The journal of physical chemistry. A, 2007, 111, 10953-10960
1505103 CIFC2 H10 N8 O6 S2 ZnC 1 2/c 110.9541; 7.5673; 14.1753
90; 101.63; 90		1150.91Novaković, Sladjana B; Bogdanović, Goran A; Fraisse, Bernard; Ghermani, Nour Eddine; Bouhmaida, Nouzha; Spasojević-de Biré, Anne
Topological features of both electron density and electrostatic potential in the bis(thiosemicarbazide)zinc(II) dinitrate complex.
The journal of physical chemistry. A, 2007, 111, 13492-13505
1505110 CIFC36 H22 F10P -16.062; 8.22; 14.48
85.41; 89.54; 83.89		715.1Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Fluorinated diphenylpolyenes: crystal structures and emission properties.
The journal of physical chemistry. A, 2007, 111, 13441-13451
1505111 CIFC18 H14 F2P -19.582; 11.523; 12.89
85.425; 84.296; 75.81		1370.7Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Fluorinated diphenylpolyenes: crystal structures and emission properties.
The journal of physical chemistry. A, 2007, 111, 13441-13451
1505112 CIFC18 H12 F4P -16.752; 7.414; 7.515
85.677; 73.17; 79.341		353.8Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Fluorinated diphenylpolyenes: crystal structures and emission properties.
The journal of physical chemistry. A, 2007, 111, 13441-13451
1505113 CIFC18 H10 F6P -16.9822; 7.2167; 7.3338
88.901; 79.877; 77.54		355.15Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Fluorinated diphenylpolyenes: crystal structures and emission properties.
The journal of physical chemistry. A, 2007, 111, 13441-13451
1505114 CIFC18 H6 F10P -15.9392; 8.1021; 8.5594
80.335; 78.54; 73.542		384.39Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Fluorinated diphenylpolyenes: crystal structures and emission properties.
The journal of physical chemistry. A, 2007, 111, 13441-13451
1505115 CIFC18 H11 F5P -16.0911; 8.179; 14.72
78.667; 87.639; 83.47		714.2Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Fluorinated diphenylpolyenes: crystal structures and emission properties.
The journal of physical chemistry. A, 2007, 111, 13441-13451
1505688 CIFC91 H130 Cl2 N6 O6 Zn2P 1 21/c 117.4953; 17.5283; 30.01
90; 96.766; 90		9138.9Görner, Helmut; Khanra, Sumit; Weyhermüller, Thomas; Chaudhuri, Phalguni
Photoinduced intramolecular proton transfer of phenol-containing ligands and their zinc complexes.
The journal of physical chemistry. A, 2006, 110, 2587-2594
1505698 CIFC69 H78 B2 Cl2 F4 N10 O10 ZnP -19.376; 18.932; 20.837
96.88; 101.14; 104.49		3458Harriman, Anthony; Rostron, James P.; Cesario, Michèle; Ulrich, Gilles; Ziessel, Raymond
Electron transfer in self-assembled orthogonal structures.
The journal of physical chemistry. A, 2006, 110, 7994-8002
1505723 CIFC4 H3 Cl O4P 1 21/c 17.558; 4.9822; 16.015
90; 92.395; 90		602.5Wong, Alan; Pike, Kevin J.; Jenkins, Rob; Clarkson, Guy J.; Anupõld, Tiit; Howes, Andrew P.; Crout, David H. G.; Samoson, Ago; Dupree, Ray; Smith, Mark E.
Experimental and theoretical 17O NMR study of the influence of hydrogen-bonding on C=O and O-H oxygens in carboxylic solids.
The journal of physical chemistry. A, 2006, 110, 1824-1835
1505724 CIFC25 H38 N5 S6 YbP 1 21/c 117.4135; 10.5109; 17.2309
90; 96.324; 90		3134.6Liu, G. K.; Jensen, M. P.; Almond, P. M.
Systematic behavior of charge-transfer transitions and energy level variation in soft donor complexes of the trivalent lanthanides.
The journal of physical chemistry. A, 2006, 110, 2081-2088
1505726 CIFC24 H16P 1 21/n 17.827; 4.8647; 20.2212
90; 92.791; 90		769.03Santos, Rui C.; Bernardes, Carlos E. S.; Diogo, Hermínio P; Piedade, M Fátima M; Canongia Lopes, José N; Minas da Piedade, Manuel E.
Energetics of the thermal dimerization of acenaphthylene to heptacyclene.
The journal of physical chemistry. A, 2006, 110, 2299-2307
1505728 CIFC16 H16 Co2 N8 O4 S4P 1 21/c 15.7128; 14.346; 6.9722
90; 97.468; 90		566.6Shi, Jing-Min; Sun, You-Min; Zhang, Xia; Yi, Long; Cheng, Peng; Liu, Lian-Dong
Magnetic study on a two-dimensional coordination polymer with mixed bridging ligands.
The journal of physical chemistry. A, 2006, 110, 7677-7681
1505729 CIFC15 H9 F3P 1 21/c 111.1557; 12.5428; 8.0282
90; 97.45; 90		1113.85Wang, Xianlong; Mallory, Frank B.; Mallory, Clelia W.; Beckmann, Peter A.; Rheingold, Arnold L.; Francl, Michelle M.
CF3 rotation in 3-(trifluoromethyl)phenanthrene. X-ray diffraction and ab initio electronic structure calculations.
The journal of physical chemistry. A, 2006, 110, 3954-3960
1505734 CIFC12 H12 CrP a -39.5714; 9.5714; 9.5714
90; 90; 90		876.85Lyssenko, Konstantin A.; Korlyukov, Alexander A.; Golovanov, Denis G.; Ketkov, Sergey Yu; Antipin, Mikhail Yu
Estimation of the barrier to rotation of benzene in the (eta 6-C6H6)2Cr crystal via topological analysis of the electron density distribution function.
The journal of physical chemistry. A, 2006, 110, 6545-6551
1505735 CIFC34 H24 N2 O4 S6C 1 2/c 133.46; 8.032; 48.84
90; 103.43; 90		12767Jousselme, Bruno; Blanchard, Philippe; Allain, Magali; Levillain, Eric; Dias, Marylène; Roncali, Jean
Structural control of the electronic properties of photodynamic azobenzene-derivatized pi-conjugated oligothiophenes.
The journal of physical chemistry. A, 2006, 110, 3488-3494
1505746 CIFC39.5 H25.5 Mg N9.5 OP -18.823; 13.007; 14.424
81.912; 80.385; 74.07		1561.5Wong, Alan; Ida, Ramsey; Mo, Xin; Gan, Zhehong; Poh, Jennifer; Wu, Gang
Solid-state 25Mg NMR spectroscopic and computational studies of organic compounds. square-pyramidal magnesium(II) ions in aqua(magnesium) phthalocyanine and chlorophyll a.
The journal of physical chemistry. A, 2006, 110, 10084-10090
1505760 CIFC19 H17 N O3P -16.8991; 7.2227; 31.435
93.322; 93.237; 93.007		1558.8Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.
The journal of physical chemistry. A, 2006, 110, 13379-13387
1505761 CIFC22 H23 N O3P -18.0445; 8.5236; 14.1707
74.95; 82.264; 77.374		912.51Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.
The journal of physical chemistry. A, 2006, 110, 13379-13387
1505762 CIFC21 H21 N O3P 1 21 114.193; 7.299; 17.052
90; 95.895; 90		1757.2Sonoda, Yoriko; Goto, Midori; Tsuzuki, Seiji; Tamaoki, Nobuyuki
Fluorescence spectroscopic properties and crystal structure of a series of donor-acceptor diphenylpolyenes.
The journal of physical chemistry. A, 2006, 110, 13379-13387
1506369 CIFC64 H80 N8 Ni O8P -114.107; 14.121; 16.871
86.52; 72.52; 73.3		3069.2Gunaratne, Tissa C.; Gusev, Alexey V.; Peng, Xinzhan; Rosa, Angela; Ricciardi, Giampaolo; Baerends, Evert Jan; Rizzoli, Corrado; Kenney, Malcolm E.; Rodgers, Michael A. J.
Photophysics of octabutoxy phthalocyaninato-Ni(II) in toluene: ultrafast experiments and DFT/TDDFT studies.
The journal of physical chemistry. A, 2005, 109, 2078-2089
1506371 CIFC44 H64 N4 O4 P2 PtP -110.9367; 11.2973; 11.4492
110.738; 109.796; 104.578		1128.32Cooper, Thomas M.; Hall, Benjamin C.; McLean, Daniel G.; Rogers, Joy E.; Burke, Aaron R.; Turnbull, Kenneth; Weisner, Andrew; Fratini, Albert; Liu, Yao; Schanze, Kirk S.
Structure-optical property relationships in organometallic sydnones.
The journal of physical chemistry. A, 2005, 109, 999-1007
1506372 CIFC7 H14 N4 O3P 1 21/n 16.744; 6.79; 19.472
90; 95.159; 90		888Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.
The journal of physical chemistry. A, 2005, 109, 1911-1919
1506373 CIFC7 H14 N4 O3P 1 21/n 16.7679; 6.779; 19.487
90; 95.446; 90		890Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.
The journal of physical chemistry. A, 2005, 109, 1911-1919
1506374 CIFC7 H14 N4 O3P 1 21/n 16.774; 6.803; 19.441
90; 95.329; 90		892Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.
The journal of physical chemistry. A, 2005, 109, 1911-1919
1506375 CIFC7 H14 N4 O3P 1 21/n 16.787; 6.802; 19.532
90; 95.266; 90		897.9Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.
The journal of physical chemistry. A, 2005, 109, 1911-1919
1506376 CIFC7 H14 N4 O3P 1 21/n 16.831; 6.838; 19.525
90; 95.482; 90		907.8Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.
The journal of physical chemistry. A, 2005, 109, 1911-1919
1506377 CIFC7 H14 N4 O3P 1 21/n 16.7989; 6.8226; 19.4639
90; 95.102; 90		899.28Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.
The journal of physical chemistry. A, 2005, 109, 1911-1919
1506378 CIFC7 H14 N4 O3P 1 21/n 16.8272; 6.8456; 19.484
90; 94.983; 90		907.2Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.
The journal of physical chemistry. A, 2005, 109, 1911-1919
1506379 CIFC7 H14 N4 O3P 1 21/n 16.726; 6.732; 19.418
90; 95.391; 90		875.347Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
Electron and nuclear positions in the short hydrogen bond in urotropine-N-oxide.formic acid.
The journal of physical chemistry. A, 2005, 109, 1911-1919
1506380 CIFC7 H5 I O2P 1 21/n 14.0567; 5.9409; 30.223
90; 91.019; 90		728.3Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
On the solid state structure of 4-iodobenzoic acid.
The journal of physical chemistry. A, 2005, 109, 2586-2593
1506381 CIFC7 H5 I O2P 1 21/n 14.0688; 5.9466; 30.253
90; 90.982; 90		731.9Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
On the solid state structure of 4-iodobenzoic acid.
The journal of physical chemistry. A, 2005, 109, 2586-2593
1506382 CIFC7 H5 I O2P 1 21/n 14.0778; 5.9724; 30.243
90; 90.893; 90		736.5Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
On the solid state structure of 4-iodobenzoic acid.
The journal of physical chemistry. A, 2005, 109, 2586-2593
1506383 CIFC7 H5 I O2P 1 21/n 14.096; 5.9745; 30.157
90; 90.852; 90		737.9Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
On the solid state structure of 4-iodobenzoic acid.
The journal of physical chemistry. A, 2005, 109, 2586-2593
1506384 CIFC7 H5 I O2P 1 21/n 14.1049; 5.9933; 30.179
90; 90.878; 90		742.4Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
On the solid state structure of 4-iodobenzoic acid.
The journal of physical chemistry. A, 2005, 109, 2586-2593
1506385 CIFC7 H5 I O2P 1 21/n 14.1049; 5.9933; 30.179
90; 90.878; 90		742.4Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
On the solid state structure of 4-iodobenzoic acid.
The journal of physical chemistry. A, 2005, 109, 2586-2593
1506386 CIFC7 H5 I O2P 1 21/n 14.1049; 5.9933; 30.179
90; 90.878; 90		742.4Nygren, Cara L.; Wilson, Chick C.; Turner, John F. C.
On the solid state structure of 4-iodobenzoic acid.
The journal of physical chemistry. A, 2005, 109, 2586-2593
1506397 CIFC12 H10 Cl N3 O4P 1 21/c 19.9583; 5.7946; 23.2137
90; 101.697; 90		1311.71Naumov, Pance; Sakurai, Kenji; Ishikawa, Tadahiko; Takahashi, Junichi; Koshihara, Shin-ya; Ohashi, Yuji
Intramolecular nitro-assisted proton transfer in photoirradiated 2-(2',4'-dinitrobenzyl)pyridine: polarized optical spectroscopic study and electronic structure calculations.
The journal of physical chemistry. A, 2005, 109, 7264-7275
1506398 CIFC9 H13 Cl4 Nb OP -17.0665; 7.1523; 13.3112
76.813; 86.607; 69.37		612.86Lo, Andy Y. H.; Bitterwolf, Thomas E.; Macdonald, Charles L. B.; Schurko, Robert W.
Solid-state 93Nb and 13C NMR investigations of half-sandwich niobium(I) and niobium(V) cyclopentadienyl complexes.
The journal of physical chemistry. A, 2005, 109, 7073-7087
1506399 CIFC7 H5 B F3 NP n m a17.404; 8.678; 4.856
90; 90; 90		733.4Phillips, J. A.; Giesen, D. J.; Wells, N. P.; Halfen, J. A.; Knutson, C. C.; Wrass, J. P.
Condensed-phase effects on the structural properties of C6H5CN-BF3 and (CH3)3CCN-BF3: IR spectra, crystallography, and computations.
The journal of physical chemistry. A, 2005, 109, 8199-8208
1506405 CIFC49 H39 B Cu F4 N3 P2P -110.764; 12.387; 16.56
87.73; 76.22; 80.64		2115.9Waterland, Mark R.; Howell, Sarah L.; Gordon, Keith C.; Burrell, Anthony K.
Structural changes upon photoexcitation into the metal-to-ligand charge-transfer state of [Cu(pqx)(PPh3)2]+ probed by resonance Raman spectroscopy and density functional theory.
The journal of physical chemistry. A, 2005, 109, 8826-8833
1506409 CIFC10 H10 N4P 1 21/c 16.67; 11.506; 12.975
90; 114.56; 90		905.7Otsuki, Joe; Suwa, Kazuya; Narutaki, Koichi; Sinha, Chittaranjan; Yoshikawa, Isao; Araki, Koji
Photochromism of 2-(phenylazo)imidazoles.
The journal of physical chemistry. A, 2005, 109, 8064-8069
1506412 CIFC37 H32P -111.272; 14.504; 17.102
84.537; 86.253; 81.33		2747.8Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando
Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene.
The journal of physical chemistry. A, 2005, 109, 11650-11654
1506413 CIFC37 H32P 1 21 112.221; 17.921; 13.524
90; 107.82; 90		2819.8Barr, James W.; Bell, Thomas W.; Catalano, Vincent J.; Cline, Joseph I.; Phillips, Daniel J.; Procupez, Rolando
Syntheses, structures, and photoisomerization of (E)- and (Z)-2-tert-butyl-9-(2,2,2-triphenylethylidene)fluorene.
The journal of physical chemistry. A, 2005, 109, 11650-11654
1506414 CIFC12 H7 Br N2 O2P 21 21 217.483; 7.636; 18.212
90; 90; 90		1040.6Kaletas, Basak Kükrer; Joshi, Hem C.; van der Zwan, Gert; Fanti, Marianna; Zerbetto, Francesco; Goubitz, Kees; De Cola, Luisa; König, Burkhard; Williams, René M
Asymmetric indolylmaleimide derivatives and their complexation with zinc(II)-cyclen.
The journal of physical chemistry. A, 2005, 109, 9443-9455
1506415 CIFC36 H51 N7P 1 21/a 19.2709; 32.431; 11.698
90; 110.714; 90		3289.8Moore, Evan G.; Bernhardt, Paul V.; Fürstenberg, Alexandre; Riley, Mark J.; Vauthey, Eric
Intra- vs intermolecular photoinduced electron transfer reactions of a macrocyclic donor-acceptor dyad.
The journal of physical chemistry. A, 2005, 109, 11715-11723
1507136 CIFC19 H23 N O2P 1 21/c 122.261; 7.709; 20.227
90; 116.454; 90		3108Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; Radia, Jignesh; Zeidler, Anita
Molecular origins of optoelectronic properties in coumarin dyes: toward designer solar cell and laser applications.
The journal of physical chemistry. A, 2012, 116, 727-737
1507137 CIFC16 H17 N O4 SP 1 21/c 111.466; 15.725; 18.776
90; 119.73; 90		2939.8Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; Radia, Jignesh; Zeidler, Anita
Molecular origins of optoelectronic properties in coumarin dyes: toward designer solar cell and laser applications.
The journal of physical chemistry. A, 2012, 116, 727-737
1507138 CIFC20 H18 N2 O2P 1 21/c 111.4302; 13.0417; 10.2164
90; 92.823; 90		1521.1Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; Radia, Jignesh; Zeidler, Anita
Molecular origins of optoelectronic properties in coumarin dyes: toward designer solar cell and laser applications.
The journal of physical chemistry. A, 2012, 116, 727-737
1507139 CIFC22 H18 N2 O3P 1 21/c 113.1252; 7.3464; 17.3911
90; 97.2558; 90		1663.47Liu, Xiaogang; Cole, Jacqueline M.; Waddell, Paul G.; Lin, Tze-Chia; Radia, Jignesh; Zeidler, Anita
Molecular origins of optoelectronic properties in coumarin dyes: toward designer solar cell and laser applications.
The journal of physical chemistry. A, 2012, 116, 727-737
1507140 CIFC12 O12 Ru3P 1 21/n 17.9847; 14.6576; 14.3889
90; 100.521; 90		1655.72Farrugia, Louis J.; Senn, Hans Martin
On the unusual weak intramolecular C...C interactions in Ru3(CO)12: a case of bond path artifacts introduced by the multipole model?
The journal of physical chemistry. A, 2012, 116, 738-746
1508254 CIFC34 H47 N4 O Si1.5P -19.8347; 12.3153; 13.6788
94.438; 108.137; 94.692		1559.87Yang, Yang; Kennedy, Vance O.; Updegraph, 3rd, James B; Samas, Brian; Macikenas, Dainius; Chaloux, Brian; Miller, Jacob A.; Van Goethem, Erika M.; Kenney, Malcolm E.
Long Directional Interactions (LDIs) in Oligomeric Cofacial Silicon Phthalocyanines and Other Oligomeric and Polymeric Cofacial Phthalocyanines.
The journal of physical chemistry. A, 2012, 116, 8718-8730
1508255 CIFC100 H110 N16 O3 Si4P -112.9596; 17.7729; 21.9722
78.856; 74.009; 72.145		4597.8Yang, Yang; Kennedy, Vance O.; Updegraph, 3rd, James B; Samas, Brian; Macikenas, Dainius; Chaloux, Brian; Miller, Jacob A.; Van Goethem, Erika M.; Kenney, Malcolm E.
Long Directional Interactions (LDIs) in Oligomeric Cofacial Silicon Phthalocyanines and Other Oligomeric and Polymeric Cofacial Phthalocyanines.
The journal of physical chemistry. A, 2012, 116, 8718-8730
1508256 CIFC132 H126 N24 O4 Si5P -114.3609; 19.9352; 21.5817
87.529; 74.499; 76.1		5778Yang, Yang; Kennedy, Vance O.; Updegraph, 3rd, James B; Samas, Brian; Macikenas, Dainius; Chaloux, Brian; Miller, Jacob A.; Van Goethem, Erika M.; Kenney, Malcolm E.
Long Directional Interactions (LDIs) in Oligomeric Cofacial Silicon Phthalocyanines and Other Oligomeric and Polymeric Cofacial Phthalocyanines.
The journal of physical chemistry. A, 2012, 116, 8718-8730
1508257 CIFC108 H36 O110 Zn22P m -3 m20.251; 20.251; 20.251
90; 90; 90		8305Larsen, Randy W.; Wojtas, Lukasz
Photophysical studies of Ru(II)tris(2,2'-bipyridine) confined within a Zn(II)-trimesic acid polyhedral metal-organic framework.
The journal of physical chemistry. A, 2012, 116, 7830-7835
1508258 CIFC14 H14 O6C m c a6.749; 26.529; 15.082
90; 90; 90		2700.3Sigalov, Mark V.; Doronina, Evgeniya P.; Sidorkin, Valery F.
C(Ar)-h···o hydrogen bonds in substituted isobenzofuranone derivatives: geometric, topological, and NMR characterization.
The journal of physical chemistry. A, 2012, 116, 7718-7725
1508259 CIFC12 H8 Cl2 O4C 1 2/c 120.363; 9.604; 13.438
90; 114.767; 90		2386.3Sigalov, Mark V.; Doronina, Evgeniya P.; Sidorkin, Valery F.
C(Ar)-h···o hydrogen bonds in substituted isobenzofuranone derivatives: geometric, topological, and NMR characterization.
The journal of physical chemistry. A, 2012, 116, 7718-7725
1508262 CIFC37 H32 B F4 N2 O1.5P 1 21/n 114.651; 15.895; 27.762
90; 101.73; 90		6330Fortage, Jérôme; Tuyèras, Fabien; Peltier, Cyril; Dupeyre, Grégory; Calboréan, Adrian; Bedioui, Fethi; Ochsenbein, Philippe; Puntoriero, Fausto; Campagna, Sebastiano; Ciofini, Ilaria; Lainé, Philippe P
Tictoid expanded pyridiniums: assessing structural, electrochemical, electronic, and photophysical features.
The journal of physical chemistry. A, 2012, 116, 7880-7891
1508263 CIFC38 H30 F12 N2 P2P -17.925; 16.055; 17.098
114.32; 100.04; 96.16		1912.8Fortage, Jérôme; Tuyèras, Fabien; Peltier, Cyril; Dupeyre, Grégory; Calboréan, Adrian; Bedioui, Fethi; Ochsenbein, Philippe; Puntoriero, Fausto; Campagna, Sebastiano; Ciofini, Ilaria; Lainé, Philippe P
Tictoid expanded pyridiniums: assessing structural, electrochemical, electronic, and photophysical features.
The journal of physical chemistry. A, 2012, 116, 7880-7891
1508540 CIFC21 H26 F3 N OP c c n14.6043; 22.5308; 23.7796
90; 90; 90		7824.6Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.
Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.
The journal of physical chemistry. A, 2012, 116, 12249-12259
1508541 CIFC21 H29 N OP 1 21/a 110.0062; 11.1917; 16.797
90; 102.784; 90		1834.4Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.
Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.
The journal of physical chemistry. A, 2012, 116, 12249-12259
1508542 CIFC20 H24 F3 N OP -110.9713; 12.6281; 14.4453
89.791; 97.735; 112.271		1832.8Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.
Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.
The journal of physical chemistry. A, 2012, 116, 12249-12259
1508543 CIFC20 H27 N OP b c m9.625; 26.794; 6.906
90; 90; 90		1781Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.
Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.
The journal of physical chemistry. A, 2012, 116, 12249-12259
1508544 CIFC21 H32 N2 OC 1 2/m 118.8396; 6.9526; 14.9354
90; 107.219; 90		1868.6Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.
Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.
The journal of physical chemistry. A, 2012, 116, 12249-12259
1508545 CIFC19 H24 N2 O3P -16.043; 10.138; 15.059
79.706; 81.949; 76.489		877.9Markle, Todd F.; Tronic, Tristan A.; Dipasquale, Antonio G.; Kaminsky, Werner; Mayer, James M.
Effect of basic site substituents on concerted proton-electron transfer in hydrogen-bonded pyridyl-phenols.
The journal of physical chemistry. A, 2012, 116, 12249-12259
1508821 CIFC26 H20P 16.95; 7.4; 17.571
92.119; 96.424; 90.191		897.4Sonoda, Yoriko; Shimoi, Yukihiro; Goto, Midori; Tohnai, Norimitsu; Kanesato, Masatoshi
Fluorescence Properties of (E,E,E)-1,6-Di(n-naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation.
The journal of physical chemistry. A, 2013, 117, 566-578
1508822 CIFC26 H20P 1 21 16.556; 7.272; 18.452
90; 90.519; 90		879.7Sonoda, Yoriko; Shimoi, Yukihiro; Goto, Midori; Tohnai, Norimitsu; Kanesato, Masatoshi
Fluorescence Properties of (E,E,E)-1,6-Di(n-naphthyl)-1,3,5-hexatriene (n = 1, 2): Effects of Internal Rotation.
The journal of physical chemistry. A, 2013, 117, 566-578
1508825 CIFC17 H11 B Br F2 N OP 1 21/n 18.2591; 12.7538; 14.1802
90; 105.367; 90		1440.27Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys
Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.
The journal of physical chemistry. A, 2013, 117, 252-256
1508826 CIFC18 H14 B F2 N O2P 1 21 18.3324; 12.3542; 14.6062
90; 103.868; 90		1459.74Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys
Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.
The journal of physical chemistry. A, 2013, 117, 252-256
1508827 CIFC18 H14 B F2 N OP 1 21/n 18.2951; 12.8843; 13.5914
90; 103.305; 90		1413.61Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys
Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.
The journal of physical chemistry. A, 2013, 117, 252-256
1508828 CIFC18 H11 B F5 N OP -17.7839; 8.172; 12.735
77.081; 80.031; 76.88		762.54Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys
Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.
The journal of physical chemistry. A, 2013, 117, 252-256
1508829 CIFC18 H14 B F2 N OP 1 21/c 17.1119; 14.2344; 14.2595
90; 100.811; 90		1417.92Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys
Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.
The journal of physical chemistry. A, 2013, 117, 252-256
1508830 CIFC17 H12 B F2 N OP 1 21/n 17.67122; 11.9542; 14.336
90; 95.657; 90		1308.26Zakrzewska, Anna; Kolehmainen, Erkki; Valkonen, Arto; Haapaniemi, Esa; Rissanen, Kari; Chęcińska, Lilianna; Ośmiałowski, Borys
Substituent Effect in 2-Benzoylmethylenequinoline Difluoroborates Exhibiting Through-Space Couplings. Multinuclear Magnetic Resonance, X-ray Diffraction, and Computational Study.
The journal of physical chemistry. A, 2013, 117, 252-256
1508831 CIFC14 H9 N O3P -14.7147; 9.9033; 17.3871
101.436; 95.574; 97.222		783.15Fourati, M. Amine; Skene, W. G.; Bazuin, C Géraldine; Prud'homme, Robert E.
Photophysical and Electrochemical Investigations of the Fluorescent Probe, 4,4'-Bis(2-benzoxazolyl)stilbene.
The journal of physical chemistry. A, 2013, 117, 836-844
1508922 CIFC74 H72 Cl N O2 P4 WP -19.887; 12.071; 26.395
90.302; 92.637; 103.19		3063Moravec, Davis B.; Hopkins, Michael D.
FRET Sensitization of Tungsten-Alkylidyne Complexes by Zinc Porphyrins in Self-Assembled Dyads.
The journal of physical chemistry. A, 2013, 117, 1744-1755
1511823 CIFC12 H20 Cd N6 O6P 43 21 27.3625; 7.3625; 30.591
90; 90; 90		1658.23Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin
Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate.
The journal of physical chemistry. A, 2013, 117, 3414-3427
1511824 CIFC12 H20 Cd N6 O6P 43 21 27.3515; 7.3515; 30.456
90; 90; 90		1646Colaneri, Michael J.; Vitali, Jacqueline; Kirschbaum, Kristin
Electron Paramagnetic Resonance Spectroscopic Study of Copper Hopping in Doped Bis(l-histidinato)cadmium Dihydrate.
The journal of physical chemistry. A, 2013, 117, 3414-3427
1511978 CIFC11 H15 N O2P -17.1242; 8.2157; 9.3814
94.357; 107.054; 96.473		518.16Jana, Sankar; Dalapati, Sasanka; Guchhait, Nikhil
Excited State Intramolecular Charge Transfer Suppressed Proton Transfer Process in 4-(Diethylamino)-2-hydroxybenzaldehyde.
The journal of physical chemistry. A, 2013, 117, 4367-4376
1511982 CIFC48 H43 Cl O8 P2 PdP 1 21/n 112.6057; 13.8157; 25.128
90; 99.242; 90		4319.4Barquera-Lozada, José Enrique; Obenhuber, Andreas; Hauf, Christoph; Scherer, Wolfgang
On the chemical shifts of agostic protons.
The journal of physical chemistry. A, 2013, 117, 4304-4315
1512016 CIFC36 H30 Fe I2 N6 O3P 1 21/c 120.2533; 16.2649; 10.5531
90; 103.911; 90		3374.4Qiu, Yanxuan; Yang, Meng; Chen, Wenbin; Su, Yuzhi; Ouyang, Zhenjie; Yan, Hua; Gao, Feixian; Dong, Wen
Crystal structures, UV spectra of solid iodide anionic water clusters I(-)(H2O)(1-4), and electrochemical reaction of I(-)(H2O)(1-4) →I· + e(-)(H2O)(1-4).
The journal of physical chemistry. A, 2013, 117, 4051-4056
1512017 CIFC72 H66 I4 N12 O9 Zn2C 1 2/c 119.3322; 15.7956; 25.3442
90; 99.368; 90		7636Qiu, Yanxuan; Yang, Meng; Chen, Wenbin; Su, Yuzhi; Ouyang, Zhenjie; Yan, Hua; Gao, Feixian; Dong, Wen
Crystal structures, UV spectra of solid iodide anionic water clusters I(-)(H2O)(1-4), and electrochemical reaction of I(-)(H2O)(1-4) →I· + e(-)(H2O)(1-4).
The journal of physical chemistry. A, 2013, 117, 4051-4056
1512138 CIFC30 H18 Br4 F12 N6 P2 RuC 1 c 120.5937; 18.9018; 22.083
90; 103.108; 90		8372Vallett, Paul J.; Damrauer, Niels H.
Experimental and computational exploration of ground and excited state properties of highly strained ruthenium terpyridine complexes.
The journal of physical chemistry. A, 2013, 117, 6489-6507
1513214 CIFC20 H26 B10 Cu2 N4C 1 c 115.5479; 10.6631; 14.845
90; 101.674; 90		2410.2Vologzhanina, Anna V.; Korlyukov, Alexander A.; Avdeeva, Varvara V.; Polyakova, Irina N.; Malinina, Elena A.; Kuznetsov, Nikolai T.
Theoretical QTAIM, ELI-D, and Hirshfeld Surface Analysis of the Cu-(H)B Interaction in [Cu2(bipy)2B10H10].
The journal of physical chemistry. A, 2013, 117, 13138-13150
1513215 CIFC34 H26 F12 N6 P2 RuP -110.2377; 11.7776; 15.0852
98.004; 99.653; 97.468		1753.65Albani, Bryan A.; Durr, Christopher B.; Turro, Claudia
Selective Photoinduced Ligand Exchange in a New Tris-Heteroleptic Ru(II) Complex.
The journal of physical chemistry. A, 2013, 117, 13885-13892
1513216 CIFC41.55 H38.36 F12 N6 O P2 RuP -19.9878; 11.866; 18.5529
98.583; 92.11; 99.059		2142.96Albani, Bryan A.; Durr, Christopher B.; Turro, Claudia
Selective Photoinduced Ligand Exchange in a New Tris-Heteroleptic Ru(II) Complex.
The journal of physical chemistry. A, 2013, 117, 13885-13892
1513217 CIFC15 H14 Br F3 O3 S2P 1 21/n 111.7897; 10.584; 13.6153
90; 97.989; 90		1682.46Ahmed, Maqsood; Yar, Muhammad; Nassour, Ayoub; Guillot, Benoit; Lecomte, Claude; Jelsch, Christian
Experimental and theoretical charge density analysis of a bromoethyl sulfonium salt.
The journal of physical chemistry. A, 2013, 117, 14267-14275
1513341 CIFC18 H43 Cl2 Ir P2P 1 21/c 18.0646; 8.9616; 16.2738
90; 92.672; 90		1174.86Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.
Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.
The journal of physical chemistry. A, 2014, 118, 1203-1212
1513342 CIFC18 H43 Cl2 P2 RhP 1 21/c 18.0734; 8.9633; 16.266
90; 92.5754; 90		1175.89Garbacz, Piotr; Terskikh, Victor V.; Ferguson, Michael J.; Bernard, Guy M.; Kędziorek, Mariusz; Wasylishen, Roderick E.
Experimental Characterization of the Hydride (1)H Shielding Tensors for HIrX2(PR3)2 and HRhCl2(PR3)2: Extremely Shielded Hydride Protons with Unusually Large Magnetic Shielding Anisotropies.
The journal of physical chemistry. A, 2014, 118, 1203-1212
1513343 CIFC28 H21 F6 N SC 1 2 122.064; 10.5914; 22.751
90; 118.669; 90		4664.9Hirose, Takashi; Inoue, Yuki; Hasegawa, Jun-Ya; Higashiguchi, Kenji; Matsuda, Kenji
Investigation on CD Inversion at Visible Region Caused by a Tilt of the π-Conjugated Substituent: Theoretical and Experimental Approaches by Using an Asymmetric Framework of Diarylethene Annulated Isomer.
The journal of physical chemistry. A, 2014, 118, 1084-1093
1513344 CIFC37 H46 N2 O2P -19.4723; 13.8209; 14.2201
116.052; 97.4525; 101.172		1591.32Yamashita, Hiroaki; Abe, Jiro
Remarkable Solvatochromic Color Change via Proton Tautomerism of a Phenol-Linked Imidazole Derivative.
The journal of physical chemistry. A, 2014, 118, 1430-1438
1513345 CIFC39 H52 N2 O3 SP -19.5672; 13.359; 15.03
93.77; 105.796; 90.872		1843.3Yamashita, Hiroaki; Abe, Jiro
Remarkable Solvatochromic Color Change via Proton Tautomerism of a Phenol-Linked Imidazole Derivative.
The journal of physical chemistry. A, 2014, 118, 1430-1438
1513346 CIFC47 H32 Cl2 N4P 1 21/n 19.3295; 21.719; 17.834
90; 98.47; 90		3574.2Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro
Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.
The journal of physical chemistry. A, 2013, 118, 134
1513347 CIFC48 H33 N5P -19.512; 11.533; 16.99
96.062; 94.541; 104.431		1784.1Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro
Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.
The journal of physical chemistry. A, 2013, 118, 134
1513348 CIFC46 H30 N4P 1 21/n 110.145; 25.68; 12.867
90; 94.357; 90		3342Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro
Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.
The journal of physical chemistry. A, 2013, 118, 134
1513349 CIFC46 H30 N4P -19.72; 11.606; 15.241
82.64; 87.985; 75.216		1648.7Yamaguchi, Tetsuo; Hatano, Sayaka; Abe, Jiro
Multistate Photochromism of 1-Phenylnaphthalene-Bridged Imidazole Dimer That Has Three Colorless Isomers and Two Colored Isomers.
The journal of physical chemistry. A, 2013, 118, 134
1514122 CIFC48 H38 N6 O5P b c a18.444; 15.948; 25.573
90; 90; 90		7522Nakano, Emi; Mutoh, Katsuya; Kobayashi, Yoichi; Abe, Jiro
Electrochemistry of photochromic [2.2]paracyclophane-bridged imidazole dimers: rational understanding of the electronic structures.
The journal of physical chemistry. A, 2014, 118, 2288-2297
1514123 CIFC38 H58 Fe P2P 1 21 113.1315; 9.8741; 13.7239
90; 103.615; 90		1729.46Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan
Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
The journal of physical chemistry. A, 2014, 118, 2316-2331
1514124 CIFC38 H46 Fe P2P 1 21 113.2558; 9.2386; 13.4456
90; 99.992; 90		1621.64Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan
Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
The journal of physical chemistry. A, 2014, 118, 2316-2331
1514125 CIFC39 H48 Cl2 Fe P2P b c a13.4011; 21.5414; 48.6745
90; 90; 90		14051.3Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan
Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
The journal of physical chemistry. A, 2014, 118, 2316-2331
1514126 CIFC38 H58 Fe P2P -111.9515; 12.1683; 14.2621
110.684; 97.566; 114.389		1670.91Wiegand, Thomas; Eckert, Hellmut; Ren, Jinjun; Brunklaus, Gunther; Fröhlich, Roland; Daniliuc, Constantin G.; Lübbe, Gerrit; Bussmann, Kathrin; Kehr, Gerald; Erker, Gerhard; Grimme, Stefan
Indirect "no-bond" (31)p···(31)p spin-spin couplings in p,p-[3]ferrocenophanes: insights from solid-state NMR spectroscopy and DFT calculations.
The journal of physical chemistry. A, 2014, 118, 2316-2331
1514181 CIFC120 H216 Au36 S24P 1 21/n 118.5437; 29.3874; 32.6577
90; 96.612; 90		17678.5Das, Anindita; Liu, Chong; Zeng, Chenjie; Li, Gao; Li, Tao; Rosi, Nathaniel L.; Jin, Rongchao
Cyclopentanethiolato-Protected Au36(SC5H9)24 Nanocluster: Crystal Structure and Implications for the Steric and Electronic Effects of Ligand.
The journal of physical chemistry. A, 2014, 118, 8264-8269
1514182 CIFC8 H16 N2 O3P 6114.4465; 14.4465; 10.0082
90; 90; 120		1808.89Altheimer, Benjamin D; Mehta, Manish A
Effects of structural differences on the NMR chemical shifts in isostructural dipeptides.
The journal of physical chemistry. A, 2014, 118, 2618-2628
1514263 CIFC24 H12 N2 S2P -18.569; 9.647; 13.03
69.226; 72.615; 79.106		956.9Shi, Jianwu; Zhao, Wenling; Xu, Li; Kan, Yuhe; Li, Chunli; Song, Jinsheng; Wang, Hua
Small Molecules of Cyclopentadithiophene Derivatives: Effect of Sulfur Atoms Position and Substituted Groups on Their UV-abs Properties.
The journal of physical chemistry. A, 2014, 118, 7844
1514264 CIFC21 H12 O S2P 1 21/c 19.4678; 20.285; 9.5649
90; 116.62; 90		1642.3Shi, Jianwu; Zhao, Wenling; Xu, Li; Kan, Yuhe; Li, Chunli; Song, Jinsheng; Wang, Hua
Small Molecules of Cyclopentadithiophene Derivatives: Effect of Sulfur Atoms Position and Substituted Groups on Their UV-abs Properties.
The journal of physical chemistry. A, 2014, 118, 7844
1515993 CIFC29 H20 OI 1 2/a 124.2504; 8.1885; 21.5299
90; 110.491; 90		4004.78Pal, Rumpa; Mukherjee, Somnath; Chandrasekhar, S.; Guru Row, T. N.
Exploring cyclopentadienone antiaromaticity: charge density studies of various tetracyclones.
The journal of physical chemistry. A, 2014, 118, 3479-3489
1516016 CIFC5 H12 Cl N O2 SP 21 21 215.1687; 8.202; 21.516
90; 90; 90		912.14Defonsi Lestard, M. E.; Díaz, S B; Puiatti, M.; Echeverría, G A; Piro, O. E.; Pierini, A. B.; Ben Altabef, A.; Tuttolomondo, M. E.
Vibrational and structural behavior of (L)-cysteine ethyl ester hydrochloride in the solid state and in aqueous solution.
The journal of physical chemistry. A, 2013, 117, 14243-14252
1516017 CIFC8 H3.33333 N6 O2.66667P 1 21/c 15.59928; 24.2233; 19.9883
90; 91.9071; 90		2709.57Sakai, Ken-ichi; Nagahara, Kenta; Yoshii, Yuuya; Hoshino, Norihisa; Akutagawa, Tomoyuki
Structural and spectroscopic study of 6,7-dicyano-substituted lumazine with high electron affinity and proton acidity.
The journal of physical chemistry. A, 2013, 117, 3614-3624
1516189 CIFC7 H5 F O2P 1 21/n 13.816; 6.3759; 26.571
90; 94.353; 90		644.6Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516190 CIFC13 H11 F N2 O3C 1 2/c 122.913; 5.2046; 20.0132
90; 100.212; 90		2348.8Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516191 CIFC7 H5 F O2P 1 21/n 13.7812; 6.3418; 26.539
90; 94.11; 90		634.8Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516192 CIFC13 H10 F N2 O3P -17.0275; 7.4474; 12.6005
74.371; 87.185; 70.004		596.12Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516193 CIFC7 H5 F O2P 1 21/n 16.5525; 3.7524; 25.021
90; 92.82; 90		614.5Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516194 CIFC7 H5 F O2P 1 21/c 13.7041; 6.2642; 26.6604
90; 92.96; 90		617.78Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516195 CIFC7 H5 F O2P 1 21/c 13.7411; 6.305; 26.564
90; 93.54; 90		625.4Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516196 CIFC7 H5 F O2P 1 21/c 13.7637; 6.3314; 26.607
90; 93.76; 90		632.7Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516197 CIFC7 H5 F O2P 1 21/n 16.7465; 3.7192; 24.285
90; 92.91; 90		608.6Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516198 CIFC13 H11 F N2 O3C 1 2/c 122.046; 5.2078; 20.995
90; 95.888; 90		2397.7Hathwar, Venkatesha R.; Thakur, Tejender S.; Dubey, Ritesh; Pavan, Mysore S.; Row, Tayur N Guru; Desiraju, Gautam R.
Extending the supramolecular synthon based fragment approach (SBFA) for transferability of multipole charge density parameters to monofluorobenzoic acids and their cocrystals with isonicotinamide: importance of C-H···O, C-H···F, and F···F intermolecular regions.
The journal of physical chemistry. A, 2011, 115, 12852-12863
1516284 CIFC4 H10 N2 O5 ZnP -19.09; 9.537; 10.42
106.112; 105.815; 106.854		766.9Mroué, Kamal H; Power, William P.
High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes.
The journal of physical chemistry. A, 2010, 114, 324-335
1516285 CIFC6 H8 Cl2 N4 ZnP 1 21/n 17.9306; 11.7739; 11.4156
90; 105.441; 90		1027.45Mroué, Kamal H; Power, William P.
High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes.
The journal of physical chemistry. A, 2010, 114, 324-335
1516286 CIFC6 H22 N2 Na2 O10 S2 ZnC 1 2 15.1893; 23.2065; 15.0008
90; 92.561; 90		1804.67Mroué, Kamal H; Power, William P.
High-field solid-state (67)Zn NMR spectroscopy of several zinc-amino acid complexes.
The journal of physical chemistry. A, 2010, 114, 324-335
1516347 CIFC9 H8 O2P 1 21/n 15.6283; 17.9569; 7.7399
90; 96.844; 90		776.67Benedict, Jason B.; Coppens, Philip
Kinetics of the single-crystal to single-crystal two-photon photodimerization of alpha-trans-cinnamic acid to alpha-truxillic acid.
The journal of physical chemistry. A, 2009, 113, 3116-3120
1516348 CIFC9 H9 N O4P 21 21 217.6786; 7.7348; 14.8561
90; 90; 90		882.34Nelyubina, Yulia V.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.
Hydrogen bonds between zwitterions: intermediate between classical and charge-assisted ones. A case study.
The journal of physical chemistry. A, 2009, 113, 3615-3620
1516349 CIFC64 H76 Cl2 P4 Pd2C 1 2/c 126.721; 12.755; 21.264
90; 101.51; 90		7101.59Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria
Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization.
The journal of physical chemistry. A, 2009, 113, 14730-14740
1516350 CIFC66 H104 O2 P4 Pd2 S2P -19.847; 13.52; 15.56
94.1; 106.5; 96.2		1963Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria
Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization.
The journal of physical chemistry. A, 2009, 113, 14730-14740
1516351 CIFC28 H60 O2 P2 Pd S2P 18.538; 10.605; 11.064
67.828; 81.864; 85.056		917.8Vitaliano, Rosa; Fratoddi, Ilaria; Venditti, Iole; Roviello, Giuseppina; Battocchio, Chiara; Polzonetti, Giovanni; Russo, Maria Vittoria
Self-assembled monolayers based on Pd-containing organometallic thiols: preparation and structural characterization.
The journal of physical chemistry. A, 2009, 113, 14730-14740
1516352 CIFC22 H27 Cl2 N3 O4P -17.9275; 11.4889; 13.693
71.003; 73.267; 82.75		1128.55Dey, Biswajit; Choudhury, Somnath Ray; Gamez, Patrick; Vargiu, Attilio Vittorio; Robertazzi, Arturo; Chen, Chih-Yuan; Lee, Hon Man; Jana, Atish Dipankar; Mukhopadhyay, Subrata
Water-chloride and water-bromide hydrogen-bonded networks: influence of the nature of the halide ions on the stability of the supramolecular assemblies.
The journal of physical chemistry. A, 2009, 113, 8626-8634
1516353 CIFC22 H27 Br2 N3 O4C 1 2/c 128.4117; 7.9256; 24.8399
90; 124.153; 90		4628.8Dey, Biswajit; Choudhury, Somnath Ray; Gamez, Patrick; Vargiu, Attilio Vittorio; Robertazzi, Arturo; Chen, Chih-Yuan; Lee, Hon Man; Jana, Atish Dipankar; Mukhopadhyay, Subrata
Water-chloride and water-bromide hydrogen-bonded networks: influence of the nature of the halide ions on the stability of the supramolecular assemblies.
The journal of physical chemistry. A, 2009, 113, 8626-8634
1516354 CIFC19 H18 Cl N5 O SP 1 21/c 17.2743; 24.0163; 11.68
90; 110.354; 90		1913.11Guo, Jixi; Liu, Lang; Jia, Dianzeng; Wang, Junhua; Xie, Xiaolin
Solid-state photochromic properties and mechanism of 1-phenyl-3-methyl-4-(3-chlorobenzal)-5-hydroxypyrazole 4-methylthiosemicarbazone.
The journal of physical chemistry. A, 2009, 113, 1255-1258
1516355 CIFC3 H8 N2 OP 21 21 24.979; 10.775; 4.5764
90; 90; 90		245.52Martins, David M. S.; Spanswick, Christopher K.; Middlemiss, Derek S.; Abbas, Nasir; Pulham, Colin R.; Morrison, Carole A.
A new polymorph of N,N'-dimethylurea characterized by X-ray diffraction and first-principles lattice dynamics calculations.
The journal of physical chemistry. A, 2009, 113, 5998-6003
1516356 CIFC55 H49 Eu F18 O8 P2P -112.9551; 15.832; 16.3342
71.639; 70.877; 73.768		2945.6Osawa, Masahisa; Hoshino, Mikio; Wada, Tatsuo; Hayashi, Fumi; Osanai, Shuichi
Intra-complex energy transfer of europium(III) complexes containing anthracene and phenanthrene moieties.
The journal of physical chemistry. A, 2009, 113, 10895-10902
1516357 CIFC55 H49 Eu F18 O8 P2P 1 21/n 115.804; 20.343; 18.9226
90; 96.2858; 90		6047.1Osawa, Masahisa; Hoshino, Mikio; Wada, Tatsuo; Hayashi, Fumi; Osanai, Shuichi
Intra-complex energy transfer of europium(III) complexes containing anthracene and phenanthrene moieties.
The journal of physical chemistry. A, 2009, 113, 10895-10902
1516358 CIFC14 H14 N4 O6P -13.68; 7.595; 12.501
85.69; 88.01; 84.22		346.5Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C.
Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds.
The journal of physical chemistry. A, 2009, 113, 13985-13997
1516359 CIFC14 H14 N4 O6C 1 2/c 111.72; 10.014; 12.187
90; 102.7; 90		1395.3Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C.
Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds.
The journal of physical chemistry. A, 2009, 113, 13985-13997
1516360 CIFC14 H14 N4 O6P -13.6706; 7.6027; 12.478
85.523; 88.193; 84.252		345.31Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C.
Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds.
The journal of physical chemistry. A, 2009, 113, 13985-13997
1516361 CIFC14 H14 N4 O6C 1 2/c 111.668; 9.9799; 12.1407
90; 102.747; 90		1378.89Schmidtmann, Marc; Farrugia, Louis J.; Middlemiss, Derek S.; Gutmann, Matthias J.; McIntyre, Garry J.; Wilson, Chick C.
Experimental and theoretical charge density study of polymorphic isonicotinamide-oxalic acid molecular complexes with strong O...H...N hydrogen bonds.
The journal of physical chemistry. A, 2009, 113, 13985-13997
1516362 CIFC72 H128.5 Co N14 O29 PP 21 21 2115.831; 22.374; 25.304
90; 90; 90		8963Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter
Electron densities of three B12 vitamins.
The journal of physical chemistry. A, 2009, 113, 8366-8378
1516363 CIFC76 H132 Co N18 O30 PP 21 21 2115.12; 21.474; 27.219
90; 90; 90		8838Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter
Electron densities of three B12 vitamins.
The journal of physical chemistry. A, 2009, 113, 8366-8378
1516364 CIFC63 H91 Co N13 O28.25 PP 21 21 2117.3; 17.69; 32.23
90; 90; 90		9864Mebs, Stefan; Henn, Julian; Dittrich, Birger; Paulmann, Carsten; Luger, Peter
Electron densities of three B12 vitamins.
The journal of physical chemistry. A, 2009, 113, 8366-8378
1516365 CIFC6 H5 N5 O6P 1 c 17.309; 5.169; 11.583
90; 95.22; 90		435.8Kohno, Yuji; Hiyoshi, Reiko I.; Yamaguchi, Yoshitaka; Matsumoto, Shinya; Koseki, Atsushi; Takahashi, Osamu; Yamasaki, Katsuyoshi; Ueda, Kazuyoshi
Molecular dynamics studies of the structural change in 1,3-diamino-2,4,6-trinitrobenzene (DATB) in the crystalline state under high pressure.
The journal of physical chemistry. A, 2009, 113, 2551-2560
1516366 CIFC8 H5 Mn O3P 1 21/n 110.7512; 6.9258; 11.6465
90; 115.794; 90		780.8Borissova, Alexandra O.; Antipin, Mikhail Yu; Lyssenko, Konstantin A.
Mutual influence of cyclopentadienyl and carbonyl ligands in cymantrene: QTAIM study.
The journal of physical chemistry. A, 2009, 113, 10845-10851
1516367 CIFC12 H18 N4 O8P 1 21/c 17.2459; 20.9361; 9.7928
90; 97.402; 90		1473.2Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi
New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.
The journal of physical chemistry. A, 2009, 113, 11354-11366
1516368 CIFC12 H18 N4 O8P 1 21/c 17.2445; 20.901; 9.7813
90; 97.413; 90		1468.7Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi
New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.
The journal of physical chemistry. A, 2009, 113, 11354-11366
1516369 CIFC10 H14 N4 O6P 1 21/n 110.453; 9.464; 12.557
90; 102.551; 90		1212.5Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi
New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.
The journal of physical chemistry. A, 2009, 113, 11354-11366
1516370 CIFC16 H26 N4 O6P -14.7244; 12.1071; 15.6874
84.553; 87.211; 88.585		892.01Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi
New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.
The journal of physical chemistry. A, 2009, 113, 11354-11366
1516372 CIFC10 H14 N4 O6P 1 21/n 113.9814; 15.9511; 22.2275
90; 93.019; 90		4950.27Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi
New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.
The journal of physical chemistry. A, 2009, 113, 11354-11366
1516373 CIFC14 H22 N4 O6P 1 21/n 18.3906; 14.517; 26.835
90; 91.427; 90		3267.7Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi
New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.
The journal of physical chemistry. A, 2009, 113, 11354-11366
1516374 CIFC22 H32 N4 O6P c a 217.6093; 18.2086; 17.2841
90; 90; 90		2394.8Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi
New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.
The journal of physical chemistry. A, 2009, 113, 11354-11366
1516375 CIFC14 H22 N4 O6P -14.8071; 10.6331; 16.15
80.715; 83.144; 87.224		808.5Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi
New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.
The journal of physical chemistry. A, 2009, 113, 11354-11366
1516376 CIFC10 H14 N4 O6P b c a17.4174; 7.0176; 19.344
90; 90; 90		2364.39Naumov, Pance; Lee, Sang Cheol; Ishizawa, Nobuo; Jeong, Young Gyu; Chung, Ihn Hee; Fukuzumi, Shunichi
New type of dual solid-state thermochromism: modulation of intramolecular charge transfer by intermolecular pi-pi interactions, kinetic trapping of the aci-nitro group, and reversible molecular locking.
The journal of physical chemistry. A, 2009, 113, 11354-11366
1516377 CIFC22 H18 N2P b c n12.7108; 7.8485; 34.116
90; 90; 90		3403.4Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming
Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes.
The journal of physical chemistry. A, 2009, 113, 4868-4877
1516378 CIFC22 H18 N2P 1 21/n 110.0075; 28.672; 11.7698
90; 97.202; 90		3350.5Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming
Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes.
The journal of physical chemistry. A, 2009, 113, 4868-4877
1516379 CIFC22 H18 N2P -19.2398; 9.8013; 19.7269
83.604; 87.026; 70.912		1677.5Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming
Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes.
The journal of physical chemistry. A, 2009, 113, 4868-4877
1516380 CIFC23 H20 N2P 1 21/c 116.0282; 13.2482; 8.2983
90; 100.83; 90		1730.72Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming
Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes.
The journal of physical chemistry. A, 2009, 113, 4868-4877
1516381 CIFC23 H18 N2P b c a15.7; 6.8425; 33.139
90; 90; 90		3560Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming
Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes.
The journal of physical chemistry. A, 2009, 113, 4868-4877
1516382 CIFC23 H18 N2P 1 21/c 17.589; 19.3827; 11.5468
90; 94.827; 90		1692.5Yang, Jye-Shane; Lin, Cheng-Kai; Lahoti, Anand M.; Tseng, Chung-Kai; Liu, Yi-Hung; Lee, Gene-Hsiang; Peng, Shie-Ming
Effect of ground-state twisting on the trans ‒> cis photoisomerization and TICT state formation of aminostilbenes.
The journal of physical chemistry. A, 2009, 113, 4868-4877
1516383 CIFC19 H18 Cl2 N4P 1 21 17.6007; 7.3647; 16.11
90; 93.9836; 90		899.61Ma, Yan; Hao, Rui; Shao, Guangsheng; Wang, Yuan
An excellent fluorescent dye with a twistable aromatic chain and its axially chiral crystals.
The journal of physical chemistry. A, 2009, 113, 5066-5072
1516384 CIFC5 H6 N2 O4P 1 21/a 115.77423; 8.07596; 5.00886
90; 111.009; 90		595.671Guidoni, Leonardo; Gontrani, Lorenzo; Bencivenni, Luigi; Sadun, Claudia; Ballirano, Paolo
Overcoming the inadequacy of X-ray powder diffraction in reliable hydrogen location with the aid of first principles calculations: crystal structure determination of orotaldehyde monohydrate.
The journal of physical chemistry. A, 2009, 113, 353-359
1516385 CIFC14 H9 N O3P 1 21/c 111.4213; 12.9119; 7.4058
90; 99.8483; 90		1076.04Chen, Chyi-Lin; Lin, Chun-Wei; Hsieh, Cheng-Chih; Lai, Chin-Hung; Lee, Gene-Hsiang; Wang, Chih-Chieh; Chou, Pi-Tai
Dual excited-state intramolecular proton transfer reaction in 3-hydroxy-2-(pyridin-2-yl)-4H-chromen-4-one.
The journal of physical chemistry. A, 2009, 113, 205-214
1516624 CIFC55.22 H54.8 Cl3.65 N12 O6.79P 1 21/c 112.0326; 13.7368; 18.1386
90; 94.679; 90		2988.13Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu
Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids.
The journal of physical chemistry. A, 2014, 118, 4415-4424
1516625 CIFC64 H56 Cl6 N14 O4P -18.1267; 12.3186; 15.8366
93.4245; 100.543; 92.7206		1553.09Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu
Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids.
The journal of physical chemistry. A, 2014, 118, 4415-4424
1516626 CIFC36 H38 N8P 1 21/n 115.3095; 5.0915; 20.1111
90; 109.532; 90		1477.41Muranaka, Atsuya; Ohira, Shino; Toriumi, Naoyuki; Hirayama, Machiko; Kyotani, Fumiko; Mori, Yukie; Hashizume, Daisuke; Uchiyama, Masanobu
Unraveling the Electronic Structure of Azolehemiporphyrazines: Direct Spectroscopic Observation of Magnetic Dipole Allowed Nature of the Lowest π-π* Transition of 20π-Electron Porphyrinoids.
The journal of physical chemistry. A, 2014, 118, 4415-4424
1516636 CIFC19 H14P 1 21/c 17.5875; 11.1085; 14.9042
90; 92.772; 90		1254.74Wolstenholme, David J.; Matta, Chérif F; Cameron, T. Stanley
Experimental and theoretical electron density study of a highly twisted polycyclic aromatic hydrocarbon: 4-methyl-[4]helicene.
The journal of physical chemistry. A, 2007, 111, 8803-8813
1516637 CIFC5 H5 Br2 NP c a 2114.273; 4.6009; 10.7534
90; 90; 90		706.16Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328
1516638 CIFC5 H5 Br Cl NP c a 2114.274; 4.4396; 10.581
90; 90; 90		670.5Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328
1516639 CIFC5 H5 Br I NP c a 2114.2891; 4.8298; 10.9546
90; 90; 90		756.02Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328
1516641 CIFC5 H5 Cl I NP 1 21/m 16.9272; 6.6251; 8.512
90; 103.19; 90		380.34Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328
1516642 CIFC5 H5 Br Cl NP -14.7691; 7.7441; 9.1529
84.26; 76.91; 86.06		327.23Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328
1516643 CIFC5 H5 Br I NP 1 21/c 14.805; 14.391; 11.121
90; 94.69; 90		766.4Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328
1516644 CIFC5 H5 Br Cl NP -14.9079; 7.8016; 9.2523
83.626; 77.592; 86.92		343.69Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328
1516645 CIFC5 H5 Cl I NP -15.1279; 8.224; 9.276
83.82; 74.66; 86.82		374.9Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328
1516646 CIFC5 H5 Br Cl NP 1 21/m 14.3924; 8.1794; 9.4338
90; 95.83; 90		337.18Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328
1516647 CIFC5 H5 Br I NP -14.981; 8.5067; 9.4529
80.18; 79.48; 88.909		388Awwadi, Firas F.; Willett, Roger D.; Peterson, Kirk A.; Twamley, Brendan
The nature of halogen...halide synthons: theoretical and crystallographic studies.
The journal of physical chemistry. A, 2007, 111, 2319-2328

Left arrow Left arrow First | Left arrow Previous 300 | of 2 | Next 300 Blue right arrow | Last Blue right arrow Blue right arrow | Display 5 20 50 100 200 300 500 1000 entries per page

Back to the search form
Your own data is not in the COD? Deposit it, thanks!
Top of the page
All data in the COD and the database itself are dedicated to the public domain and licensed under the CC0 License . Users of the data should acknowledge the original authors of the structural data.