Crystallography Open Database
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Searching journal of publication like 'The journal of physical chemistry. A'
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
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1513343 | CIF | C28 H21 F6 N S | C 1 2 1 | 22.064; 10.5914; 22.751 90; 118.669; 90 | 4664.9 | Hirose, 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 |
1516286 | CIF | C6 H22 N2 Na2 O10 S2 Zn | C 1 2 1 | 5.1893; 23.2065; 15.0008 90; 92.561; 90 | 1804.67 | Mroué, 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 |
1501721 | CIF | C5 H10 N2 S2 | C 1 2/c 1 | 10.3212; 8.8807; 7.5565 90; 93.299; 90 | 691.48 | Bushmarinov, 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 |
1501745 | CIF | C11 H8 N4 S | C 1 2/c 1 | 10.97; 8.986; 20.881 90; 103.66; 90 | 2000.2 | Nakanishi, 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 | CIF | C13 H18 N2 | C 1 2/c 1 | 16.649; 14.441; 20.354 90; 92.7; 90 | 4888.2 | Galievsky, 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 |
1502722 | CIF | C7 H8 N2 O | C 1 2/c 1 | 19.7305; 7.5421; 19.521 90; 108.659; 90 | 2752.22 | Ośmiałowski, 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 | CIF | C9 H12 N2 O | C 1 2/c 1 | 15.0714; 9.4669; 12.7208 90; 90.861; 90 | 1814.8 | Ośmiałowski, 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 |
1504377 | CIF | C4 H8 N2 S2 | C 1 2/c 1 | 12.1589; 4.788; 10.7556 90; 102.048; 90 | 612.36 | Bushmarinov, 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 |
1504414 | CIF | C17 H13 F3 N2 O3 S5 | C 1 2/c 1 | 21.068; 14.014; 14.368 90; 106.74; 90 | 4062.3 | Yu, 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 |
1505103 | CIF | C2 H10 N8 O6 S2 Zn | C 1 2/c 1 | 10.9541; 7.5673; 14.1753 90; 101.63; 90 | 1150.91 | Novaković, 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 |
1505735 | CIF | C34 H24 N2 O4 S6 | C 1 2/c 1 | 33.46; 8.032; 48.84 90; 103.43; 90 | 12767 | Jousselme, 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 |
1508259 | CIF | C12 H8 Cl2 O4 | C 1 2/c 1 | 20.363; 9.604; 13.438 90; 114.767; 90 | 2386.3 | Sigalov, 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 |
1512017 | CIF | C72 H66 I4 N12 O9 Zn2 | C 1 2/c 1 | 19.3322; 15.7956; 25.3442 90; 99.368; 90 | 7636 | Qiu, 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 |
1516190 | CIF | C13 H11 F N2 O3 | C 1 2/c 1 | 22.913; 5.2046; 20.0132 90; 100.212; 90 | 2348.8 | Hathwar, 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 | CIF | C13 H11 F N2 O3 | C 1 2/c 1 | 22.046; 5.2078; 20.995 90; 95.888; 90 | 2397.7 | Hathwar, 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 |
1516349 | CIF | C64 H76 Cl2 P4 Pd2 | C 1 2/c 1 | 26.721; 12.755; 21.264 90; 101.51; 90 | 7101.59 | Vitaliano, 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 |
1516353 | CIF | C22 H27 Br2 N3 O4 | C 1 2/c 1 | 28.4117; 7.9256; 24.8399 90; 124.153; 90 | 4628.8 | Dey, 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 |
1516359 | CIF | C14 H14 N4 O6 | C 1 2/c 1 | 11.72; 10.014; 12.187 90; 102.7; 90 | 1395.3 | Schmidtmann, 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 | CIF | C14 H14 N4 O6 | C 1 2/c 1 | 11.668; 9.9799; 12.1407 90; 102.747; 90 | 1378.89 | Schmidtmann, 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 |
1516702 | CIF | C16 H17 N O4 | C 1 2/c 1 | 10.4651; 12.0555; 22.0874 90; 91.79; 90 | 2785.23 | Mukhina, Olga A.; Cronk, W. Cole; Kumar, N. N. Bhuvan; Sekhar, M. Chandra; Samanta, Anunay; Kutateladze, Andrei G. Intramolecular cycloadditions of photogenerated azaxylylenes: an experimental and theoretical study. The journal of physical chemistry. A, 2014, 118, 10487-10496 |
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