Ab initio study of the pressure effect on the structural and electronic properties of crystalline hydrogen azide I. A. FedorovYu. N. ZhuravlevE. A. Kiseleva OriginalPaper 05 April 2016 Pages: 1 - 7
Sublattice effect on the formation of the band structure of crystals with the chalcopyrite lattice: B2CN, BC2N, BCN2 Yu. M. Basalaev OriginalPaper 05 April 2016 Pages: 8 - 13
Peroxynitrite in the hemoglobin composition K. V. SimonA. V. Tulub OriginalPaper 05 April 2016 Pages: 14 - 24
A quantum chemical study of the molecular structure of zinc(II) and boron(II) complexes with monoiodo and dibromo substituted dipyrrines G. B. GusevaE. V. AntinaE. N. Nuraneeva OriginalPaper 05 April 2016 Pages: 25 - 32
Geometries, stabilities, electronic and magnetic properties of small aluminum cluster anions doped with cobalt: A density functional theory study L. ZhangC.-Y. ZhangJ. Zhang OriginalPaper 05 April 2016 Pages: 33 - 46
A theoretical investigation on the N–N bond cleavage in Ta(IV) hydrazidium and Ta(V) hydrazido complexes N. LuH. Wang OriginalPaper 05 April 2016 Pages: 47 - 53
The catalytic mechanism of CO oxidation in AlAu6 clusters determined by density functional theory A. LiL. GuoY. Xi OriginalPaper 05 April 2016 Pages: 54 - 64
Density functional efficiency in the calculations of vibrational frequencies and molecular structures of β-diketones H. Azizi-ToupkanlooS. F. Tayyari OriginalPaper 05 April 2016 Pages: 65 - 75
Vibrational analysis, conformational stability, force constants, internal rotation barriers, MP2=full and DFT calculations of 1,3-dimethyluracil tautomers U. A. Soliman OriginalPaper 05 April 2016 Pages: 76 - 89
A comparative FMR study of the reduction of Co-containing catalysts for the Fischer–Tropsch process in hydrogen and supercritical isopropanol N. S. NesterovI. I. SimentsovaO. N. Martyanov OriginalPaper 05 April 2016 Pages: 90 - 96
Structural dependence of the fragmentation of naphthalenesulfonyl halide and naphthalenesulfonamide molecules under electron ionization N. I. GirichevaG. V. GirichevV. M. Petrov OriginalPaper 05 April 2016 Pages: 97 - 103
Phenomenon of the ousting of a monatomic ion from its hydration shell in flat nanopores S. V. Shevkunov OriginalPaper 05 April 2016 Pages: 104 - 111
X-ray diffraction study of Al–Ge melts in a wide range of temperatures and concentrations O. M. YakovenkoV. P. KazimirovV. E. Sokol’skii OriginalPaper 05 April 2016 Pages: 112 - 120
Local structure of ionic liquid–monohydric alcohol solutions N. A. Atamas OriginalPaper 05 April 2016 Pages: 121 - 127
Thermodynamic and structural characteristics of aqueous diamine solutions A. G. TitovaM. A. Krest’yaninovA. M. Zaichikov OriginalPaper 05 April 2016 Pages: 128 - 134
Hydration numbers and bulk properties of NH 4 + , Cl–, and NO 3 - ions in solution at 298.15 K: Concentration dependence V. P. Korolev OriginalPaper 05 April 2016 Pages: 135 - 139
X-ray study of [Cu(NH3)4](ReO4)2-[Cu(NH3)2(μ-ReO4)2] n transformation S. A. GromilovA. P. TyutyunnikS. V. Korenev OriginalPaper 05 April 2016 Pages: 140 - 145
Preparation, structural organization, and thermal behavior of the ion-polymeric gold(III)–zinc(II)–dibutylammonium complex ([NH2(C4H9)2][Au{S2CN(C4H9)2}2][ZnCl4)] n T. A. RodinaO. V. LosevaA. V. Ivanov OriginalPaper 05 April 2016 Pages: 146 - 154
Three metal-organic polymers assembled from Cd(II)–fluconazole: Syntheses, crystal structures, and characterization C.-J. LinL.-X. ZhouB.-B. Zhang OriginalPaper 05 April 2016 Pages: 155 - 166
Crystal structure and some properties of europium(III) Catena-{tris(1,3-diethyl-2-thiobarbiturate)} N. N. GolovnevM. S. MolokeevS. N. Vereshchagin OriginalPaper 05 April 2016 Pages: 167 - 174
Physical principles of catalysis of the curing of epoxy polymers in the presence of carbon nanotubes A. K. MikitaevG. V. Kozlov OriginalPaper 05 April 2016 Pages: 175 - 180
Effects of a donor concentration on the structure of Nb-doped nano-sized BaTiO3 powders prepared by microwave-hydrothermal synthesis methods A. KhanfekrM. TamizifarR. Naghizadeh OriginalPaper 05 April 2016 Pages: 181 - 187
Crystal structure and antitumor activities of a dinuclear cobalt(II) complex based on meso-1,2,3,4-tetra(1H-benzo[d]imidazol-2-yl)butane Q.-W. HuangS.-X. WangY.-M. He OriginalPaper 05 April 2016 Pages: 188 - 193
ZnO and MgO nanoparticles: Synthesis and comparative study on their properties A. Bagheri Ghomi OriginalPaper 05 April 2016 Pages: 194 - 198
Crystal structure of WI4 S. S. YarovoiA. I. SmolentsevYu. V. Mironov Brief Communications 05 April 2016 Pages: 199 - 201
Crystal structure of nitrate tris(4-allylthiosemicarbazide)-chromium(III) hydrate Yu. M. ChumakovP. A. PetrenkoA. P. Gulea Brief Communications 05 April 2016 Pages: 202 - 205
Crystal structure and absolute configuration of 28-O-acetylbetulin E. M. SuleimenK. Van Hecke Brief Communications 05 April 2016 Pages: 206 - 208
Crystal and molecular structure of 1-(iodmethyl)- and 1-(iodpropyl)silatranes I. V. SterkhovaV. I. SmirnovE. A. Zel’bst Brief Communications 05 April 2016 Pages: 209 - 212