Works matching IS 00224766 AND DT 2006 AND VI 47 AND IP 6

Results: 25

Modeling the solvation shell of complexes in solution for quantum chemical calculations of electronic spectra.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1022, doi. 10.1007/s10947-006-0421-6

By:

Sizova, O.;
Sizov, V.

Publication type:

Article

Ab initio and density functional studies of cooperative hydrogen bonding in calix[4]-and calix[6]arenes.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1003, doi. 10.1007/s10947-006-0419-0

By:

Novikov, A.;
Bacherikov, V.;
Shapiro, Yu.;
Gren, A.

Publication type:

Article

Ab initio calculations of structure and stability of small boron nitride clusters.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1016, doi. 10.1007/s10947-006-0420-7

By:

Mileev, M.;
Kuzmin, S.;
Parfenyuk, V.

Publication type:

Article

Calculations of van der Waals interaction energies for Al, Cr, Fe, and Ir acetylacetonate crystals.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1032, doi. 10.1007/s10947-006-0422-5

By:

Prokuda, O.;
Belosludov, V.;
Igumenov, I.;
Stabnikov, P.

Publication type:

Article

Quantum chemical study of the reaction mechanism of the methylmercury cation with 2-mercapto-2-methyltetrahydro-1,4-thiazino[2,3,3,4- i,j]quinolinium chloride in aqueous media.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1042, doi. 10.1007/s10947-006-0423-4

By:

Shagun, V.;
Smirnov, V.;
Shagun, L.

Publication type:

Article

Theoretical investigation of the electronic spectra of aromatic nitrosooxides with allowance for solvent effects.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1051, doi. 10.1007/s10947-006-0424-3

By:

Talipov, M.;
Ryzhkov, A.;
Hursan, S.;
Safiullin, R.

Publication type:

Article

Topological analysis of Ge-O bonds in trichlorogermanes Cl3GeCH2YC(O)R.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1059, doi. 10.1007/s10947-006-0425-2

By:

Alekseev, N.;
Chernyshev, E.

Publication type:

Article

Theoretical study of the structure of (O→Si)-(acetoxymethyl)trifluorosilane dimers.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1066, doi. 10.1007/s10947-006-0426-1

By:

Chipanina, N.;
Aksamentova, T.;
Voronkov, M.;
Turchaninov, V.

Publication type:

Article

Structure and energy studies of β-diketonates. XIII. Molecular structure of gadolinium tris-hexafluoroacetylacetonate Gd(C5O2HF6)3.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1071, doi. 10.1007/s10947-006-0427-0

By:

Girichev, G.;
Tverdova, N.;
Shlykov, S.;
Rybkin, V.;
Kuzmina, N.;
Rogachev, A.

Publication type:

Article

Complexes of quinolone drugs norfloxacin and ciprofloxacin with alkaline earth metal perchlorates.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1078, doi. 10.1007/s10947-006-0428-z

By:

Upadhyay, S.;
Kumar, P.;
Arora, V.

Publication type:

Article

Hydration heat capacities of hydrophobic solutes at 248–373 K.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1084, doi. 10.1007/s10947-006-0429-y

By:

Korolev, V.

Publication type:

Article

Structural effects of solvation of unsaturated fatty acids C18: n in tetrachloromethane found in investigations of the volumetric properties of solutions.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1091, doi. 10.1007/s10947-006-0430-5

By:

Ramazanova, A.;
Korolev, V.;
Ivanov, E.

Publication type:

Article

Crystal structure of sodium potassium zinc diphosphate NaKZnP2O7.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1098, doi. 10.1007/s10947-006-0431-4

By:

Shepelev, Yu.;
Lapshin, A.;
Petrova, M.

Publication type:

Article

Synthesis of [M(NH3)5Cl](ReO4)2 (M = Cr, Co, Ru, Rh, Ir) and investigation of thermolysis products. Crystal structure of [Rh(NH3)5Cl](ReO4)2.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1103, doi. 10.1007/s10947-006-0432-3

By:

Shubin, Yu.;
Filatov, E.;
Baidina, I.;
Yusenko, K.;
Zadesenetz, A.;
Korenev, S.

Publication type:

Article

Structure and properties of heterocomplex compounds based on lead(II) hexafluoroacetylacetonate and copper(II) β-diketonates.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1111, doi. 10.1007/s10947-006-0433-2

By:

Baidina, I.;
Krisyuk, V.;
Stabnikov, P.

Publication type:

Article

X-ray diffraction study of volatile complexes of dimethylgold(III) derived from symmetrical β-diketones.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1117, doi. 10.1007/s10947-006-0434-1

By:

Zharkova, G.;
Baidina, I.;
Igumenov, I.

Publication type:

Article

X-ray diffraction investigation of siloxanes. I. Effects of organic substituents at the silicon atoms on the structure of acyclic trisiloxane-1,5-diols and on formation of different hydrogen bond systems.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1127, doi. 10.1007/s10947-006-0435-0

By:

Malinovskii, S.;
Tesuro Vallina, A.;
Stoeckli-Evans, H.

Publication type:

Article

X-ray diffraction investigation of siloxanes. II. Dependence of the structure of cyclic trisiloxanes on the nature of organic substituents at the silicon atom.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1134, doi. 10.1007/s10947-006-0436-z

By:

Malinovskii, S.;
Tesuro Vallina, A.;
Stoeckli-Evans, H.

Publication type:

Article

Phase transitions of intercalation inclusion compounds C2F0.92Br0.0· yCH3CN in the temperature range 20–260°C.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1141, doi. 10.1007/s10947-006-0437-y

By:

Shubin, Yu.;
Pinakov, D.;
Chekhova, G.;
Alferova, N.;
Logvinenko, V.

Publication type:

Article

Synthesis and structure of copper(II) trans-diaqua-bis(3-hydroxybenzoylhydrazine) nitrate dihydrate [Cu(C7H8O2N2)2(OH2)2](NO3)22H2O.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1188, doi. 10.1007/s10947-006-0443-0

By:

Miminoshvili, É.;
Miminoshvili, K.;
Zazashvili, S.;
Beridze, L.

Publication type:

Article

Ordering of Cu(II) ions in supported copper-titanium oxide catalysts.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1161, doi. 10.1007/s10947-006-0439-9

By:

Altynnikov, A.;
Tsikoza, L.;
Anufrienko, V.

Publication type:

Article

Quantum chemical study of complexation of trimethylaluminum with chlorine-containing solvents.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1170, doi. 10.1007/s10947-006-0440-3

By:

Vakulin, I.;
Zagidullina, A.;
Talipov, R.;
Vostrikova, O.

Publication type:

Article

Quantum chemical calculations of the isomer shift in iron(II) complexes of 1,2,4-triazoles with a 1 A 1 ⇔ 5 T 2 spin transition.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1177, doi. 10.1007/s10947-006-0441-2

By:

Varnek, V.;
Kryuchkova, N.;
Bushuev, M.

Publication type:

Article

Synthesis and crystal and molecular structure of the mixed-ligand coordination compound ZnPhen( n-C4H9OCS2)2.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1182, doi. 10.1007/s10947-006-0442-1

By:

Klevtsova, R.;
Leonova, T.;
Glinskaya, L.;
Larionov, S.

Publication type:

Article

Modeling of 1,2,4,5-tetrazine complexes with organic amines.

Published in:

Journal of Structural Chemistry, 2006, v. 47, n. 6, p. 1155, doi. 10.1007/s10947-006-0438-x

By:

Grishina, M.;
Potemkin, V.;
Bartashevich, E.;
Sinyaev, A.;
Rusinov, G.;
Latosh, N.;
Ganebnykh, I.;
Koryakova, O.;
Ishmetova, R.

Publication type:

Article

Works matching IS 00224766 AND DT 2006 AND VI 47 AND IP 6

Modeling the solvation shell of complexes in solution for quantum chemical calculations of electronic spectra.

Ab initio and density functional studies of cooperative hydrogen bonding in calix[4]-and calix[6]arenes.

Ab initio calculations of structure and stability of small boron nitride clusters.

Calculations of van der Waals interaction energies for Al, Cr, Fe, and Ir acetylacetonate crystals.

Quantum chemical study of the reaction mechanism of the methylmercury cation with 2-mercapto-2-methyltetrahydro-1,4-thiazino[2,3,3,4- i,j]quinolinium chloride in aqueous media.

Theoretical investigation of the electronic spectra of aromatic nitrosooxides with allowance for solvent effects.

Topological analysis of Ge-O bonds in trichlorogermanes Cl<sub>3</sub>GeCH<sub>2</sub>YC(O)R.

Theoretical study of the structure of (O→Si)-(acetoxymethyl)trifluorosilane dimers.

Structure and energy studies of β-diketonates. XIII. Molecular structure of gadolinium tris-hexafluoroacetylacetonate Gd(C<sub>5</sub>O<sub>2</sub>HF<sub>6</sub>)<sub>3</sub>.

Complexes of quinolone drugs norfloxacin and ciprofloxacin with alkaline earth metal perchlorates.

Hydration heat capacities of hydrophobic solutes at 248–373 K.

Structural effects of solvation of unsaturated fatty acids C<sub>18: n </sub> in tetrachloromethane found in investigations of the volumetric properties of solutions.

Crystal structure of sodium potassium zinc diphosphate NaKZnP<sub>2</sub>O<sub>7</sub>.

Synthesis of [M(NH<sub>3</sub>)<sub>5</sub>Cl](ReO<sub>4</sub>)<sub>2</sub> (M = Cr, Co, Ru, Rh, Ir) and investigation of thermolysis products. Crystal structure of [Rh(NH<sub>3</sub>)<sub>5</sub>Cl](ReO<sub>4</sub>)<sub>2</sub>.

Structure and properties of heterocomplex compounds based on lead(II) hexafluoroacetylacetonate and copper(II) β-diketonates.

X-ray diffraction study of volatile complexes of dimethylgold(III) derived from symmetrical β-diketones.

X-ray diffraction investigation of siloxanes. I. Effects of organic substituents at the silicon atoms on the structure of acyclic trisiloxane-1,5-diols and on formation of different hydrogen bond systems.

X-ray diffraction investigation of siloxanes. II. Dependence of the structure of cyclic trisiloxanes on the nature of organic substituents at the silicon atom.

Phase transitions of intercalation inclusion compounds C<sub>2</sub>F<sub>0.92</sub>Br<sub>0.0</sub>· yCH<sub>3</sub>CN in the temperature range 20–260°C.

Synthesis and structure of copper(II) trans-diaqua-bis(3-hydroxybenzoylhydrazine) nitrate dihydrate [Cu(C<sub>7</sub>H<sub>8</sub>O<sub>2</sub>N<sub>2</sub>)<sub>2</sub>(OH<sub>2</sub>)<sub>2</sub>](NO<sub>3</sub>)<sub>2</sub>2H<sub>2</sub>O.

Ordering of Cu(II) ions in supported copper-titanium oxide catalysts.

Quantum chemical study of complexation of trimethylaluminum with chlorine-containing solvents.

Quantum chemical calculations of the isomer shift in iron(II) complexes of 1,2,4-triazoles with a <sup>1</sup> A <sub>1</sub> ⇔ <sup>5</sup> T <sub>2</sub> spin transition.

Synthesis and crystal and molecular structure of the mixed-ligand coordination compound ZnPhen( n-C<sub>4</sub>H<sub>9</sub>OCS<sub>2</sub>)<sub>2</sub>.

Modeling of 1,2,4,5-tetrazine complexes with organic amines.