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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

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