Quantum chemical calculation of the structure, dipole moment, and polarizability of O-isopropyl methylphosphonofluoridate in the gas phase A. V. Lebedev OriginalPaper 24 January 2017 Pages: 1057 - 1067
Structure of zirconium tetrahydroborate Zr(BH4)4: A molecular dynamics study A. M. IgoshkinI. F. GolovnevI. K. Igumenov OriginalPaper 24 January 2017 Pages: 1068 - 1073
First-principles study of the pressure effects on the structural and electronic properties of crystalline organic azide C10H8N6O4 I. A. FedorovYu. N. Zhuravlev OriginalPaper 24 January 2017 Pages: 1074 - 1078
Computational design of a new pedal-like nanorobot based on nitrogen inversion M. SamadizadehS. S. Gorgani OriginalPaper 24 January 2017 Pages: 1079 - 1084
Ab initio prediction of plausible conformers of a flexible N-(3-chloro-4-fluorophenyl)thiourea (CFT) molecule: A validation study A. D. StephenP. V. NidhinP. Srinivasan OriginalPaper 24 January 2017 Pages: 1085 - 1095
A DFT study on the geometry, spectroscopic properties, and tautomerization of the local anaesthetic drug prilocaine F. HeshmatipourS. A. BeyramabadiM. M. Heravi OriginalPaper 24 January 2017 Pages: 1096 - 1103
Crystal structure determination, and DFT Calculations of dichlorobis-(dimethylsulfoxide-O)copper(II) H. ChebbiM. ChebbiY. Arfaoui OriginalPaper 24 January 2017 Pages: 1104 - 1110
Structural study of the stability of the captopril drug regarding the formation of its captopril disulphide dimer M. C. de SouzaL. F. DinizR. Diniz OriginalPaper 24 January 2017 Pages: 1111 - 1120
An X-ray photoelectron study of the electronic structure of Cu(II) complexes with dia- and paramagnetic derivatives of 2-imidazoline A. D. FedorenkoL. N. MazalovV. I. Ovcharenko OriginalPaper 24 January 2017 Pages: 1121 - 1126
Analysis of the oxidation state of platinum particles in supported catalysts by double differentiation of XPS lines M. Yu. SmirnovA. V. KalinkinV. I. Bukhtiyarov OriginalPaper 24 January 2017 Pages: 1127 - 1133
Structural features of hydrate forms of iron(III) oxalate P. Yu. TyapkinS. A. PetrovN. F. Uvarov OriginalPaper 24 January 2017 Pages: 1134 - 1140
Structure of liquid chlorobenzene in the temperature range 293-363 K E. S. AlekseevT. V. Bogdan OriginalPaper 24 January 2017 Pages: 1141 - 1149
New gadolinium polyselenide GdSe1.89(6) in the PbFCl matlockite structure type L. N. ZeleninaT. P. ChusovaD. A. Piryazev OriginalPaper 24 January 2017 Pages: 1150 - 1157
Synthesis and characterization of a pure inorganic 3D network based on the [Sr2P9HMo12O71]20–cluster and strontium(II) linkers M. M. Ftini OriginalPaper 24 January 2017 Pages: 1158 - 1164
High-temperature cubic modification of tetramethylammonium hexafluoridozirconate (N(CH3)4)2[ZrF6] A. V. GerasimenkoK. A. GaivoronskayaN. A. Didenko OriginalPaper 24 January 2017 Pages: 1165 - 1168
Crystal structures of two one-dimensional coordination polymers constructed from Mn2+ ions, chelating hexafluoro-acetylacetonate anions, and flexible bipyridyl bridging ligands M. J. PlaterB. M. De SilvaW. T. A. Harrison OriginalPaper 24 January 2017 Pages: 1169 - 1175
Crystal structure and spectroscopic characterization of a coordination polymer of Copper(II) chloride with ethylenediamine and the 2-hydroxybenzoate ion S. S. BatoolS. R. GilaniW. T. A. Harrison OriginalPaper 24 January 2017 Pages: 1176 - 1181
Synthesis and crystal structure of trans-[Ru(NO)(NH3)4SO4]ClO4 and [Ru(NO)(NH3)4SO4][Ru(NO)(NH3)3Cl(SO4)]HSO4•H2O A. N. MakhinyaM. A. Il’inI. V. Korol’kov OriginalPaper 24 January 2017 Pages: 1182 - 1187
Structure and properties of the volatile isomers of bis(1,1,1-trifluoro-5,5-dimethylhexane-2,4-dionato) of platinum(II) I. A. BaidinaG. I. ZharkovaD. A. Piryazev OriginalPaper 24 January 2017 Pages: 1188 - 1194
Single crystal X-ray diffraction study of 2,4,6-triazidopyridine and its 3,5-dibromosubstituted derivative D. V. KorchaginS. M. AldoshinS. V. Chapyshev OriginalPaper 24 January 2017 Pages: 1195 - 1202
Effect of the pH value on the synthesis of silver nanoparticles in an aqueous cysteine–silver solution O. A. BaranovaS. D. KhizhnyakP. M. Pakhomov OriginalPaper 24 January 2017 Pages: 1203 - 1208
The phase composition and physicochemical properties of transparent nanocomposite films of silicon oxycarbonitride A. G. PlekhanovN. I. FainerM. I. Rakhmanova OriginalPaper 24 January 2017 Pages: 1209 - 1215
Photochromic properties of polycrystals: 2,3-diarylcyclopentenone and its adduct with a metal-organic coordination polymer V. V. SemionovaV. V. KorolevS. A. Sapchenko OriginalPaper 24 January 2017 Pages: 1216 - 1224
Structure of molecular cocrystals of 18-crown-6 and polyhalogeno-meta-phenylenediamines T. A. VaganovaYu. V. GatilovE. V. Malykhin OriginalPaper 24 January 2017 Pages: 1225 - 1234
Study of the supramolecular interactions of carboxylic acids used as versatile ligands in coordination chemistry C. C. CorrêaF. M. ScaldiniC. B. Pinheiro OriginalPaper 24 January 2017 Pages: 1235 - 1242
Molecular dynamics study of self-radiation damage in mineral matrices A. E. GrechanovskyV. S. UrusovN. N. Eremin OriginalPaper 24 January 2017 Pages: 1243 - 1262
Structure of 3-methyl-2,3,4,4a,5, 10b-hexahydro-1H-spiro[chromeno[3,4-c] pyridin-1,1'-cyclohexane]-2,4,5-trione N. F. KirillovE. A. NikifirovaD. V. Baibarodskikh OriginalPaper 24 January 2017 Pages: 1263 - 1265
Structure of ionic cocrystals piperidinium 2-thiobarbiturate–2-thiobarbituric acid N. N. GolovnevM. S. MolokeevI. I. Golovneva OriginalPaper 24 January 2017 Pages: 1266 - 1269
Investigation of a new product of a condensation reation between 1,2,3,3-tetramethylindolenilium perchlorate and 2,6-diformyl-4-methyl-phenol V. V. TkachevM. B. LukyanovaV. I. Minkin OriginalPaper 24 January 2017 Pages: 1270 - 1271
Crystal structure and catalytic properties of a two-dimensional copper(II) coordination polymer derived from rigid bis(triazole) W. -L. HouG. -Y. DongX. Zhang OriginalPaper 24 January 2017 Pages: 1272 - 1276
