Works matching IS 00224766 AND DT 2005 AND VI 46 AND IP 4

Results: 26

Modeling the active centers of V2O5/SiO2 and V2O5/TiO2 supported catalysts. DFT theoretical analysis of optical properties.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 577, doi. 10.1007/s10947-006-0174-2

By:

Avdeev, V.;
Zhidomirov, G. M.

Publication type:

Article

DFT calculations for the structure and properties of polychlorodibenzo- para-dioxine anion-radicals.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 591, doi. 10.1007/s10947-006-0175-1

By:

Borisov, Yu. A.;
Garrett, B. C.;
Mazunov, V. A.;
Nekrasov, Yu. S.

Publication type:

Article

Theoretical investigation of 1,4-dioxane complexes with water in the chair conformation by semiempiric MNDO/PM3 method.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 596, doi. 10.1007/s10947-006-0176-0

By:

Buz'ko, V. Yu;
Sukhno, I. V.;
Panyushkin, V. T.;
Ramazanova, D. N.

Publication type:

Article

About using the approximate fields to calculate the electrostatic potential distribution of membrane channels.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 603, doi. 10.1007/s10947-006-0177-z

By:

Dmitriev, A. V.;
Baryshnikov, V. G.;
Markov, I. V.;
Tverdislov, V.

Publication type:

Article

Spectroscopic investigation of structure and mechanism of proton conductivity CsHSO4 and composites CsHSO4/SiO2.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 608, doi. 10.1007/s10947-006-0178-y

By:

Burgina, E. B.;
Ponomareva, V. G.;
Baltahinov, V. P.;
Kostrovskiy, V. G.

Publication type:

Article

ESR of Gd3+ ions in potassium yttrium tungstate.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 619, doi. 10.1007/s10947-006-0179-x

By:

Cherney, N. V.;
Nadolinnyi, V. A.;
Pavlyuk, A. A.

Publication type:

Article

Computer investigation of physical properties of water clusters. 1. Stability.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 626, doi. 10.1007/s10947-006-0180-4

By:

Galashev, A. E.;
Rakhmanova, O. R.

Publication type:

Article

Electrotransport properties of ions in aqueous solutions of H2SeO4 and Na2SeO4.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 633, doi. 10.1007/s10947-006-0181-3

By:

Vlaev, L. V.;
Nikolova, M. M.;
Gospodinov, G. G.

Publication type:

Article

Structural chemistry of mercury chalcohalides. III. Crystal structure of Hg3S2Cl1.5Br0.5 polymorphs.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 641, doi. 10.1007/s10947-006-0182-2

By:

Pervukhina, N. V.;
Magarill, S. A.;
Naumov, D. Yu.;
Borisov, S. V.;
Vasil'ev, V. I.;
Nenashev, B. G.

Publication type:

Article

Specific features of La1− x MnO3 solid state synthesis.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 647, doi. 10.1007/s10947-006-0183-1

By:

Rudskaya, A. G.;
Pustovaya, L. E.;
Kofanova, N. B.;
Kupriyanov, M. F.

Publication type:

Article

Crystal structure of NH4-substituted chabazite.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 652, doi. 10.1007/s10947-006-0184-0

By:

Seretkin, Yu. V.;
Bakakin, V. V.;
Belitzkii, I. A.

Publication type:

Article

The structure of dehydrated (Li0.7Na0.3)-analcime: Trigonal deformation of the ANA framework and new low coordinated non-framework positions.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 659, doi. 10.1007/s10947-006-0185-z

By:

Seretkin, Yu. V.;
Bakakin, V. V.;
Bazhan, I. S.

Publication type:

Article

X-ray single crystal study of reversible thermochromism and the pecularities of atomic thermal motion in n, n-diphenylguanidinium(1+) hexabromotellurate (IV).

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 672, doi. 10.1007/s10947-006-0186-y

By:

Bukvetskii, B. V.;
Mirochnik, A. G.

Publication type:

Article

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

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 683, doi. 10.1007/s10947-006-0187-x

By:

Klevtzova, R. F.;
Glinskaya, L. A.;
Kokina, T. E.;
Larionov, S. V.

Publication type:

Article

Crystal and molecular structures of Ni[( iso-C4H9)2PS2]2 and Pd[( iso-C4H9)2PS2]2 chelates.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 692, doi. 10.1007/s10947-006-0188-9

By:

Glinskaya, L. A.;
Leonova, T. G.;
Kokina, T. E.;
Klevtsova, R. F.;
Larionov, S. V.

Publication type:

Article

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).

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 699, doi. 10.1007/s10947-006-0189-8

By:

Klevtsova, R. F.;
Glinskaya, L. A.;
Kokina, T. E.;
Larionov, S. V.

Publication type:

Article

Crystal structure of [MnII (1,10-C12H8N2)3]2+[(B9C2H11)CoIII(B8C2H10)CoIII(B9C2H11)]2−·CH3CN

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 708, doi. 10.1007/s10947-006-0190-2

By:

Polyanskaya, T. M.;
Volkov, V. V;
Drozdova, M. K.

Publication type:

Article

Novel crystal modification of fac-triamminetrinitrorhodium(III) — β- fac-[Rh(NO2)3(NH3)3].

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 719, doi. 10.1007/s10947-006-0191-1

By:

Gromilov, S. A.;
Korenev, S. V.;
Baidina, I. A.;
Khranenko, S. P.

Publication type:

Article

Synthesis and crystal structure of EnH2[IrCl6].

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 725, doi. 10.1007/s10947-006-0192-0

By:

Baidina, I. A.;
Korenev, S. V.;
Makotchenko, E. V.;
Gromilov, S. A.

Publication type:

Article

Synthesis, structure, and configuration of new spirooxyndol compound.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 732, doi. 10.1007/s10947-006-0193-z

By:

Radul, O. M.;
Malinovskii, S. T;
Luboradskii, R.;
Makaev, F. Z.

Publication type:

Article

Estimations of subgraph positions in molecular graphs and their common subgraph peculiarities.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 738, doi. 10.1007/s10947-006-0194-y

By:

Makarov, L. I.

Publication type:

Article

Sizes of atoms and ions and covalency of bonding in molecules and crystals.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 744, doi. 10.1007/s10947-006-0195-x

By:

Ignatiev, V. D.

Publication type:

Article

Calculations of IR-spectra of metastable bond isomers of ruthenium nitrosocomplexes [Ru(NO)Cl5]2− [Ru(NO)(CN)5]2− by DFT method.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 752, doi. 10.1007/s10947-006-0196-9

By:

Ivanova, N. V.;
Lyubimova, O. O.;
Sizova, O. V.

Publication type:

Article

Synthesis and crystal structure of ternary molybdate compound K5Pb0.5Hf1.5(MoO4)6.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 756, doi. 10.1007/s10947-006-0197-8

By:

Bazarov, B. G.;
Klevtsova, R. F.;
Sarapulova, A. E.;
Fedorov, K. N.;
Glinskaya, L. A.;
Bazarova, Zh. G.

Publication type:

Article

Crystal structure of a novel binuclear Cu(II) complex Cu2[(Dmbiim)4H2O](ClO4)4·3H2O.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 761, doi. 10.1007/s10947-006-0198-7

By:

Yang, P.;
Li, Y.;
Yin, C.;
Gao, X.

Publication type:

Article

Crystal and molecular structure of (1 S,2 S,4a S, 8a S)- N-(N-allyldiaminomethanethione)-1-(2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalenyl) acetamide.

Published in:

Journal of Structural Chemistry, 2005, v. 46, n. 4, p. 765, doi. 10.1007/s10947-006-0199-6

By:

Styngach, E. P.;
Malinovskii, S. T.;
Bets, L. P.;
Vlad, L. A.;
Gdanets, M.;
Makaev, F. Z.

Publication type:

Article

Works matching IS 00224766 AND DT 2005 AND VI 46 AND IP 4

Modeling the active centers of V<sub>2</sub>O<sub>5</sub>/SiO<sub>2</sub> and V<sub>2</sub>O<sub>5</sub>/TiO<sub>2</sub> supported catalysts. DFT theoretical analysis of optical properties.

DFT calculations for the structure and properties of polychlorodibenzo- para-dioxine anion-radicals.

Theoretical investigation of 1,4-dioxane complexes with water in the chair conformation by semiempiric MNDO/PM3 method.

About using the approximate fields to calculate the electrostatic potential distribution of membrane channels.

Spectroscopic investigation of structure and mechanism of proton conductivity CsHSO<sub>4</sub> and composites CsHSO<sub>4</sub>/SiO<sub>2</sub>.

ESR of Gd<sup>3+</sup> ions in potassium yttrium tungstate.

Computer investigation of physical properties of water clusters. 1. Stability.

Electrotransport properties of ions in aqueous solutions of H<sub>2</sub>SeO<sub>4</sub> and Na<sub>2</sub>SeO<sub>4</sub>.

Structural chemistry of mercury chalcohalides. III. Crystal structure of Hg<sub>3</sub>S<sub>2</sub>Cl<sub>1.5</sub>Br<sub>0.5</sub> polymorphs.

Specific features of La<sub>1− x </sub>MnO<sub>3</sub> solid state synthesis.

Crystal structure of NH<sub>4</sub>-substituted chabazite.

The structure of dehydrated (Li<sub>0.7</sub>Na<sub>0.3</sub>)-analcime: Trigonal deformation of the ANA framework and new low coordinated non-framework positions.

X-ray single crystal study of reversible thermochromism and the pecularities of atomic thermal motion in n, n-diphenylguanidinium(1+) hexabromotellurate (IV).

Crystal structures of mixed-ligand complexes [CoPhen{( i-C<sub>4</sub>H<sub>9</sub>)<sub>2</sub>PS<sub>2</sub>}<sub>2</sub>], [Co(2,2′-Bipy){( i-C<sub>4</sub>H<sub>9</sub>)<sub>2</sub>PS<sub>2</sub>}<sub>2</sub>] and the development of dimer assemblies in them

Crystal and molecular structures of Ni[( iso-C<sub>4</sub>H<sub>9</sub>)<sub>2</sub>PS<sub>2</sub>]<sub>2</sub> and Pd[( iso-C<sub>4</sub>H<sub>9</sub>)<sub>2</sub>PS<sub>2</sub>]<sub>2</sub> chelates.

Dimeric ensembles in the crystal structures of mixed-ligand coordination compounds ML( i-Bu<sub>2</sub>PS<sub>2</sub>)<sub>2</sub> (M = Zn, Cd, Mn, Co, Ni; L = Phen, 2,2′-Bipy).

Novel crystal modification of fac-triamminetrinitrorhodium(III) — β- fac-[Rh(NO<sub>2</sub>)<sub>3</sub>(NH<sub>3</sub>)<sub>3</sub>].

Synthesis and crystal structure of EnH<sup>2</sup>[IrCl<sup>6</sup>].

Synthesis, structure, and configuration of new spirooxyndol compound.

Estimations of subgraph positions in molecular graphs and their common subgraph peculiarities.

Sizes of atoms and ions and covalency of bonding in molecules and crystals.

Calculations of IR-spectra of metastable bond isomers of ruthenium nitrosocomplexes [Ru(NO)Cl<sub>5</sub>]<sup>2−</sup> [Ru(NO)(CN)<sub>5</sub>]<sup>2−</sup> by DFT method.

Synthesis and crystal structure of ternary molybdate compound K<sub>5</sub>Pb<sub>0.5</sub>Hf<sub>1.5</sub>(MoO<sub>4</sub>)<sub>6</sub>.

Crystal structure of a novel binuclear Cu(II) complex Cu<sub>2</sub>[(Dmbiim)<sub>4</sub>H<sub>2</sub>O](ClO<sub>4</sub>)<sub>4</sub>·3H<sub>2</sub>O.

Crystal and molecular structure of (1 S,2 S,4a S, 8a S)- N-(N-allyldiaminomethanethione)-1-(2-hydroxy-2,5,5,8a-tetramethyldecahydronaphthalenyl) acetamide.