Crystallography Open Database

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

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COD ID Up arrow Links Formula Up arrow Space group Up arrow Cell parameters Cell volume Blue up arrow Bibliography
1554026 CIFC H3 N3 O2 SP -15.624; 5.9498; 7.6329
72.216; 70.897; 88.601		229Deng, Guohai; Li, Dingqing; Wu, Zhuang; Li, Hongmin; Bernhardt, Eduard; Zeng, Xiaoqing
Methanesulfonyl Azide: Molecular Structure and Photolysis in Solid Noble Gas Matrices.
The journal of physical chemistry. A, 2016, 120, 5590-5597
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
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
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
1545168 CIFC15 H15 N S2P -16.0518; 7.3418; 8.6695
68.482; 67.375; 69.41		320.67Shimizu, Akinori; Inoue, Yoshihisa; Mori, Tadashi
Protonation-Induced Sign Inversion of the Cotton Effects of Pyridinophanes. A Combined Experimental and Theoretical Study.
The journal of physical chemistry. A, 2017, 121, 977-985
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
1552799 CIFC8 H5 N3P -13.8354; 9.2168; 9.8872
104.868; 96.052; 96.718		332.14Tu, Ting-Husn; Chen, Yi-Ting; Shen, Jiun-Yi; Lin, Ta-Chun; Chou, Pi-Tai
Excited-State Proton Transfer in 3-Cyano-7-azaindole: From Aqueous Solution to Ice.
The journal of physical chemistry. A, 2018, 122, 2479-2484
1552732 CIFC8 H6 O4P 1 21/n 13.7157; 5.5117; 16.3825
90; 93.399; 90		334.92Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz
Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).
The journal of physical chemistry. A, 2019, 123, 8674-8689
1540706 CIFC7 H5 N O4P -14.9472; 7.4767; 10.3691
68.856; 86.708; 70.864		337.15Zhurov, Vladimir V.; Pinkerton, A. Alan
Inter- and Intramolecular Interactions in Crystalline 2-Nitrobenzoic Acid-An Experimental and Theoretical QTAIM Analysis.
The journal of physical chemistry. A, 2015, 119, 13092-13100
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
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
1516648 CIFC5 H5 Br Cl NP 1 21/m 14.6993; 8.1822; 9.1028
90; 100.045; 90		344.64Awwadi, 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
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
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
1552735 CIFC8 H6 O4P 1 21 13.807; 7.3986; 12.547
90; 95.445; 90		351.81Durka, Krzysztof; Górski, Bartosz; Błocki, Krzysztof; Urban, Mateusz; Woźniak, Krzysztof; Barbasiewicz, Michał; Luliński, Sergiusz
Experimental and Theoretical Insights into Molecular and Solid-State Properties of Isomeric Bis(salicylaldehydes).
The journal of physical chemistry. A, 2019, 123, 8674-8689
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
1543603 CIFC8 H14 Cl2 I2 N2 O2P -15.6207; 6.9699; 10.1484
94.689; 105.261; 106.876		361.61Suponitsky, Kyrill Yu; Burakov, N. I.; Kanibolotsky, Alexander L.; Mikhailov, Vasilii A.
Multiple Noncovalent Bonding in Halogen Complexes with Oxygen Organics. I. Tertiary Amides.
The journal of physical chemistry. A, 2016, 120, 4179-4190
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
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

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