Ab initio Description of Nuclear Motion in Nonrigid M k XY n (k≥1) Molecules with Quasirigid XY n Fragments A. V. MarenichV. G. Solomonik OriginalPaper Pages: 891 - 898
Nonempirical Study of Nuclear Dynamics in Nonrigid LiReO4 and K2SO4 Molecules A. V. MarenichV. G. Solomonik OriginalPaper Pages: 899 - 907
Xα–DV Modeling of Photoionization and Electronic Absorption Spectra of Cobalt tris–Acetylacetonate V. I. VovnaM. V. Kazachek OriginalPaper Pages: 908 - 913
Ab initio Study of the Geometrical and Electronic Structures of Sc(MDA)2 and Sc(MDA)3 Molecules V. V. SliznevS. B. LapshinaG. V. Girichev OriginalPaper Pages: 914 - 924
Structure and Energetics of β–Diketonates. XI. Molecular Structure of Sc(thd)3 from Gas–Phase Electron Diffraction Data N. V. BelovaN. I. GirichevaI. G. Zaitseva OriginalPaper Pages: 925 - 931
X–Ray Photoelectron Spectra and Electronic Energy Structure of Tetragonal Cu x Ni1-xTi Alloys U. GeliusA. B. KolpachevA. A. Chularis OriginalPaper Pages: 932 - 938
Synthesis and X‐Ray Study of Single Crystals of K5(Cd0.5Zr1.5)(MoO4)6 Triple Molybdate R. F. KlevtsovaB. G. BazarovZh. G. Bazarova OriginalPaper Pages: 939 - 943
Crystal and Molecular Structure of 2,3‐Pentamethylene‐3,4‐Dihydroquinazolone‐4 Nitrate. Conjugation Effects in the Series of Tricyclic Quinazolines K. K. TurgunovB. TashkhodzhaevKh. M. Shakhidoyatov OriginalPaper Pages: 944 - 948
What do Positrons Say about the Structure and Properties of Fluids? S. V. StepanovV. M. Byakov OriginalPaper Pages: 949 - 971
Dynamic Properties of Local Structures in Aqueous Model Systems D. L. Tytik OriginalPaper Pages: 972 - 976
Icelike (H2O)12 Fragment in the Structure of Potassium Ethylviologen Hexacyanometallates A. B. IlyukhinV. A. KetskoA. K. Lyashchenko OriginalPaper Pages: 977 - 979
Proton Ordering of Ice and Gas‐Hydrate Frameworks. Nanostructural Approach M. V. Kirov OriginalPaper Pages: 980 - 984
Gas‐Hydrate Packing and Stability at High Pressures É. G. LarionovF. V. ZhurkoYu. A. Dyadin OriginalPaper Pages: 985 - 989
Clathrate Hydrates of Tetrabutylammonium and Tetraisoamylammonium Halides L. S. AladkoYu. A. DyadinI. S. Terekhova OriginalPaper Pages: 990 - 994
Aggregation of Halogen Atoms in Crystalline Isomers O. V. GrinevaP. M. Zorkii OriginalPaper Pages: 995 - 1005
Molecular Light Scattering and Orientational Pair Correlations of Molecules in Liquid Chloro‐ and Bromobenzenes L. V. Lanshina OriginalPaper Pages: 1006 - 1010
Proton Magnetic Resonance and Molecular Simulation in Configurational and Conformational Analysis of Cyclohexanone Derivatives N. S. PivnenkoL. A. KutulyaV. V. Vashchenko OriginalPaper Pages: 1011 - 1018
Structure and Conformational Mobility of 4′‐Pentyl‐4‐Cyanobiphenyl from IR Spectroscopic Data L. M. BabkovI. I. GnatyukS. V. Trukhachev OriginalPaper Pages: 1019 - 1026
Conformational Analysis of IR Spectra of Alkyl and Fluoroalkyl Cyclohexanecarboxylic Acids L. M. BabkovE. S. VedyaevaG. A. Puchkovskaya OriginalPaper Pages: 1027 - 1032
A Method for Multiconformational Modeling of the Three‐Dimensional Shape of a Molecule E. V. BartashevichV. A. PotemkinA. V. Belik OriginalPaper Pages: 1033 - 1039
Genetic Algorithm for Predicting Structures and Properties of Molecular Aggregates in Organic Substances M. A. GrishinaE. V. BartashevichA. V. Belik OriginalPaper Pages: 1040 - 1044
Multiconformational Method for Analyzing the Biological Activity of Molecular Structures V. A. PotemkinR. M. ArslambekovS. Guccione OriginalPaper Pages: 1045 - 1049
Software Module that Stores Molecular Parameters for Designing Discotic Mesogens. Examples of Implementation D. A. AkopovO. B. Akopova OriginalPaper Pages: 1050 - 1052
Prediction of Nematic Mesomorphism. Compounds with Disclike Molecules O. V. ZemtsovaO. B. AkopovaN. V. Usol'tseva OriginalPaper Pages: 1053 - 1057
