Volume 47; Issue 6

Journal of Structural Chemistry

Volume 47; Issue 6

1

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

A. N. Novikov, V. A. Bacherikov, Yu. E. Shapiro, A. I. Gren

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 1.05 MB

english, 2006

2

Ab initiocalculations of structure and stability of small boron nitride clusters

M. A. Mileev, S. M. Kuzmin, V. I. Parfenyuk

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 138 KB

english, 2006

3

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

O. V. Sizova, V. V. Sizov

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 256 KB

english, 2006

4

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

O. V. Prokuda, V. R. Belosludov, I. K. Igumenov, P. A. Stabnikov

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 204 KB

english, 2006

5

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

V. A. Shagun, V. I. Smirnov, L. G. Shagun

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 1.88 MB

english, 2006

6

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

M. R. Talipov, A. B. Ryzhkov, S. L. Hursan, R. L. Safiullin

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 191 KB

english, 2006

7

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

N. B. Alekseev, E. A. Chernyshev

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 329 KB

english, 2006

8

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

N. N. Chipanina, T. N. Aksamentova, M. G. Voronkov, V. K. Turchaninov

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 105 KB

english, 2006

9

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 165 KB

english, 2006

10

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 99 KB

english, 2006

11

Hydration heat capacities of hydrophobic solutes at 248–373 K

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 90 KB

english, 2006

12

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 127 KB

english, 2006

13

Crystal structure of sodium potassium zinc diphosphate NaKZnP2O7

Yu. F. Shepelev, A. E. Lapshin, M. A. Petrova

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 146 KB

english, 2006

14

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 306 KB

english, 2006

15

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 146 KB

english, 2006

16

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

G. I. Zharkova, I. A. Baidina, I. K. Igumenov

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 246 KB

english, 2006

17

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 159 KB

english, 2006

18

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 196 KB

english, 2006

19

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 204 KB

english, 2006

20

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 556 KB

english, 2006

21

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

A. A. Altynnikov, L. T. Tsikoza, V. F. Anufrienko

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 247 KB

english, 2006

22

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

I. V. Vakulin, A. É. Zagidullina, R. F. Talipov, O. S. Vostrikova

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 509 KB

english, 2006

23

Quantum chemical calculations of the isomer shift in iron(II) complexes of 1,2,4-triazoles with a1A1⇔5T2spin transition

V. A. Varnek, N. A. Kryuchkova, M. B. Bushuev

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 284 KB

english, 2006

24

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

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

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 184 KB

english, 2006

25

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

É. B. Miminoshvili, K. É. Miminoshvili, S. R. Zazashvili, L. A. Beridze

Journal:

Journal of Structural Chemistry

Year:

2006

Language:

english

File:

PDF, 178 KB

english, 2006

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