Modeling the active centers of V2O5/SiO2 and V2O5/TiO2 supported catalysts. DFT theoretical analysis of optical properties V. I. AvdeevG. M. Zhidomirov OriginalPaper Pages: 577 - 590
DFT calculations for the structure and properties of polychlorodibenzo-para-dioxine anion-radicals Yu. A. BorisovB. C. GarrettYu. S. Nekrasov OriginalPaper Pages: 591 - 595
Theoretical investigation of 1,4-dioxane complexes with water in the chair conformation by semiempiric MNDO/PM3 method V. Yu. Buz’koI. V. SukhnoD. N. Ramazanova OriginalPaper Pages: 596 - 602
About using the approximate fields to calculate the electrostatic potential distribution of membrane channels A. V. DmitrievV. G. BaryshnikovV. A. Tverdislov OriginalPaper Pages: 603 - 607
Spectroscopic investigation of structure and mechanism of proton conductivity CsHSO4 and composites CsHSO4/SiO2 E. B. BurginaV. G. PonomarevaV. G. Kostrovskiy OriginalPaper Pages: 608 - 618
ESR of Gd3+ ions in potassium yttrium tungstate N. V. CherneyV. A. NadolinnyiA. A. Pavlyuk OriginalPaper Pages: 619 - 625
Computer investigation of physical properties of water clusters. 1. Stability A. E. GalashevO. R. Rakhmanova OriginalPaper Pages: 626 - 632
Electrotransport properties of ions in aqueous solutions of H2SeO4 and Na2SeO4 L. T. VlaevM. M. NikolovaG. G. Gospodinov OriginalPaper Pages: 633 - 640
Structural chemistry of mercury chalcohalides. III. Crystal structure of Hg3S2Cl1.5Br0.5 polymorphs N. V. PervukhinaS. A. MagarillB. G. Nenashev OriginalPaper Pages: 641 - 646
Specific features of La1−x MnO3 solid state synthesis A. G. RudskayaL. E. PustovayaM. F. Kupriyanov OriginalPaper Pages: 647 - 651
Crystal structure of NH4-substituted chabazite Yu. V. SeretkinV. V. BakakinI. A. Belitzkii OriginalPaper Pages: 652 - 658
The structure of dehydrated (Li0.7Na0.3)-analcime: Trigonal deformation of the ANA framework and new low coordinated non-framework positions Yu. V. SeretkinV. V. BakakinI. S. Bazhan OriginalPaper Pages: 659 - 671
X-ray single crystal study of reversible thermochromism and the pecularities of atomic thermal motion in n, n-diphenylguanidinium(1+) hexabromotellurate (IV) B. V. BukvetskiiA. G. Mirochnik OriginalPaper Pages: 672 - 682
Crystal structures of mixed-ligand complexes [CoPhen{(i-C4H9)2PS2}2], [Co(2,2′-Bipy){(i-C4H9)2PS2}2] and the development of dimer assemblies in them R. F. KlevtzovaL. A. GlinskayaS. V. Larionov OriginalPaper Pages: 683 - 691
Crystal and molecular structures of Ni[(iso-C4H9)2PS2]2 and Pd[(iso-C4H9)2PS2]2 chelates L. A. GlinskayaT. G. LeonovaS. V. Larionov OriginalPaper Pages: 692 - 698
Dimeric ensembles in the crystal structures of mixed-ligand coordination compounds ML(i-Bu2PS2)2 (M = Zn, Cd, Mn, Co, Ni; L = Phen, 2,2′-Bipy) R. F. KlevtsovaL. A. GlinskayaS. V. Larionov OriginalPaper Pages: 699 - 707
Crystal structure of [MnII (1,10-C12H8N2)3]2+[(B9C2H11)CoIII(B8C2H10)CoIII(B9C2H11)]2−·CH3CN T. M. PolyanskayaV. V. VolkovM. K. Drozdova OriginalPaper Pages: 708 - 718
Novel crystal modification of fac-triamminetrinitrorhodium(III) — β-fac-[Rh(NO2)3(NH3)3] S. A. GromilovS. V. KorenevS. P. Khranenko OriginalPaper Pages: 719 - 724
Synthesis and crystal structure of EnH2[IrCl6] I. A. BaidinaS. V. KorenevS.A. Gromilov OriginalPaper Pages: 725 - 731
Synthesis, structure, and configuration of new spirooxyndol compound O. M. RadulS. T. MalinovskiiF. Z. Makaev OriginalPaper Pages: 732 - 737
Estimations of subgraph positions in molecular graphs and their common subgraph peculiarities L. I. Makarov OriginalPaper Pages: 738 - 743
Sizes of atoms and ions and covalency of bonding in molecules and crystals V. D. Ignatiev OriginalPaper Pages: 744 - 751
Calculations of IR-spectra of metastable bond isomers of ruthenium nitrosocomplexes [Ru(NO)Cl5]2− [Ru(NO)(CN)5]2− by DFT method N. V. IvanovaO. O. LyubimovaO. V. Sizova Brief Communications Pages: 752 - 755
Synthesis and crystal structure of ternary molybdate compound K5Pb0.5Hf1.5(MoO4)6 B. G. BazarovR. F. KlevtsovaZh. G. Bazarova OriginalPaper Pages: 756 - 760
Crystal structure of a novel binuclear Cu(II) complex Cu2[(Dmbiim)4H2O](ClO4)4·3H2O P. YangY. LiX. Gao OriginalPaper Pages: 761 - 764
Crystal and molecular structure of (1S,2S,4aS, 8aS)-N-(N-allyldiaminomethanethione)-1-(2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalenyl) acetamide E. P. Styngach1S. T. MalinovskiiF. Z. Makaev OriginalPaper Pages: 765 - 769
