Volume 30; Issue 2

Journal of Structural Chemistry

Volume 30; Issue 2

1

Explicit electron density functionals. Pseudowave approach

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 348 KB

english, 1989

2

Theoretical study of migrational nonrigidity of molecules of salts of closo-boranes Li2B6H6, BeB6H6, (BeH)2B6H6, and LiB6H6−

A. M. Mebel', O. P. Charkin

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 976 KB

english, 1989

3

Effect of structural defects on the electronic structure and stability of cubic molybdenum carbide

A. L. Ivanovskii, V. I. Anisimov, V. A. Gubanov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 581 KB

english, 1989

4

Quantum-chemical analysis of acid-base properties of metal complexes of azaporphyrins by the INDO method

K. A. Kon'kov, G. M. Zhidomirov, O. L. Kaliya, V. I. Khleskov, Yu. V. Ivanov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 599 KB

english, 1989

5

Fragment-by-fragment analysis of molecular orbitals in some substituted benzenes

V. V. Murakhtanov, L. N. Mazalov, L. G. Bulusheva

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 746 KB

english, 1989

6

Theoretical investigation of all possible channels of isomerization and dissociation reactions of the formaldehyde molecule

R. M. Minyaev, M. E. Kletskii

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 825 KB

english, 1989

7

Electronic structure of adsorbed pyridine and ammonia complexes on γ-Al2O3

V. M. Gun'ko, L. M. Roev, G. D. Chukin, S. A. Sergienko

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 557 KB

english, 1989

8

Electron-diffraction investigation of the structure of the 2-methyl-5-vinyltetrazole molecule in the gaseous phase

N. I. Sadova, A. A. Ivanov, M. V. Popik, I. F. Shishkov, L. V. Vilkov, Yu. A. Pankrushev

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 635 KB

english, 1989

9

Molecular structure of 1,1-dimethylhydrazine

O. A. Litvinov, L. V. Ermolaeva, V. V. Zverev, V. A. Naumov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 414 KB

english, 1989

10

Photoelectron spectrum and quantum-chemical structural analysis of N-methyl-N-methoxydiazene-N-oxide

V. V. Zverev, R. G. Islamov, F. Kh. Islamova, V. M. Vakar'

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 515 KB

english, 1989

11

Photoelectron spectrum and quantum-chemical analysis of structure of bis(N-methoxydiazene-N-oxido)methane

V. V. Zverev, F. Kh. Islamova, R. G. Islamov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 494 KB

english, 1989

12

Semiempirical methods applied to long-wave satellites in X-ray emission spectra

I. N. Timonova, V. V. Murakhtanov, L. N. Mazalov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 912 KB

english, 1989

13

Continuum states, xanes, and EXAFS for VO43−, CrO42−, and MnO4−

A. V. Kondratenko, É. S. Fomin, V. I. Nemanova, S. F. Ruzankin, G. M. Zhidomirov, L. N. Mazalov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 538 KB

english, 1989

14

Structure of simple liquids as a problem of percolation in the Voronoi grid

N. N. Medvedev, V. P. Voloshin, Yu. I. Naberukhin

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 727 KB

english, 1989

15

Spatial organization of random coils of linear poly(ethylenimine) containing copper(II) ions in solution

A. I. Kokorin, A. A. Shubin

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 838 KB

english, 1989

16

Monte Carlo calculations on structural and thermodynamic characteristics for acetone and the Na+-acetone system at 298 K

D. I. Mustafin, É. S. Fois, A. Gamba, G. Morozi

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 500 KB

english, 1989

17

Crystal and molecular structures of cesium phenylpentachloroplumbate and tetramethylammonium phenylpentachlorostannate

A. V. Yatsenko, S. V. Medvedev, L. A. Aslanov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 420 KB

english, 1989

18

Structure of 1,2,3,4,7-pentachloro-9-oxatricyclo[2,2,1,25,7]-non-2-ene C8H5Cl5O

A. N. Shnulin, S. A. Ismailov, V. I. Shil'nikov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 527 KB

english, 1989

19

Crystal structure of organosilicon compounds LII. 1-carboxy-1,1,2,2,3,3,4,4-octaphenyltetrasilane and 4,4,5,5,6,6,7,7,8,8-decaphenyl-4,5,6,7,8-pentasilaundeca-1,10-diene

Yu. É. Ovchinnikov, V. E. Shklover, Yu. T. Struchkov, T. M. Frunze, V. V. Dement'ev, B. A. Antipova, T. M. Ezhova

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 612 KB

english, 1989

20

Molecular and crystal structures of 6-trifluoromethyl-5-perfluoroethyl-7,7-difluoro-2,3-dihydro-1,4-dioxepin-5,6-trifluoromethyl-5-perfluoroethyl-2,3-dihydro-1,4-dioxepin-5-one-7 and 2-methyl-6-trifluoromethyl-5-perfluoroethyl-2,3-dihydro-1,4-dioxepin-5-one-7

S. V. Sereda, M. Yu. Antipin, Yu. T. Struchkov, V. F. Snegirev, K. N. Makarov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 500 KB

english, 1989

21

Crystal and molecular structure of pyridinyl 2S, 6S, 7S-tris(trichlormethyl)-4-phenyl-1-phospha-3,5,8-trioxa-4-borato-bicyclo[2,2,2]octane

I. A. Litvinov, Yu. T. Struchkov, V. A. Naumov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 457 KB

english, 1989

22

Effects of N substituents on structure in 2-N-substituted 8-oxyquinolines: Conjugation between the unshared electron pair on the nitrogen atom and the aromatic ring

Z. A. Starikova

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 2.09 MB

english, 1989

23

Construction of planar representations of a molecular electrostatic potential

P. E. Kuznetsov, A. A. Shcherbakov, R. G. Gerr

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 289 KB

english, 1989

24

Program for calculating Politzer charges by the method of electronegativity equalization

P. E. Kuznetsov, A. A. Shcherbakov, T. V. Timofeeva

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 163 KB

english, 1989

25

Calculation of overlap integrals between slater type orbitals using the fourier transformation

I. I. Guseinov, T. M. Mursalov, F. G. Pashaev, B. A. Mamedov, N. A. Allakhverdiev

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 165 KB

english, 1989

26

Calculation of one- and two-electron integrals of({}_rmu - 1_e - xrleft{ egin{gathered} S_{vsigma } ( heta , varphi ) \ Y_{vsigma } ( heta , varphi ) \ end{gathered} ight.)between slater type orbitals

I. I. Guseinov, T. M. Mursalov, F. G. Pashaev, B. A. Mamedov, N. A. Allakhverdiev

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 231 KB

english, 1989

27

Programming package for semiempirical determination of vibronic radiative transition probabilities in diatomic molecules

A. I. Drachev, B. P. Lavrov, L. L. Pozdeev, V. P. Prosikhin

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 214 KB

english, 1989

28

Unusual electronic state for iron in the superconductor

V. A. Varnek, L. V. Chernikova, I. P. Asanov, V. N. Ikorskii, V. A. Nadolinnyi, S. A. Gromilov, P. P. Samoilov, V. E. Fedorov, L. N. Mazalov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 467 KB

english, 1989

29

Effect of the counterion on spin and charge density distribution in the phenanthroline radical anion

Yu. B. Vysotskii, M. M. Mestechkin, V. N. Poltavets, L. N. Sivyakova

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 363 KB

english, 1989

30

Chiral and achiral subsets of the conformational manifold of a molecule

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 260 KB

english, 1989

31

Molecular and crystal structure of derivatives of higher internal perfluoroalkenes

S. V. Sereda, L. L. Gervits, M. Yu. Antipin, K. N. Makarov, Yu. T. Struchkov

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 437 KB

english, 1989

32

Characteristic features of the structure of methylene- and hexamethylenebis(13-crown-4)

M. D. Mazus, Yu. A. Simonov, N. G. Luk'yanenko, O. T. Mel'nik, T. I. Malinovskii

Journal:

Journal of Structural Chemistry

Year:

1989

Language:

english

File:

PDF, 332 KB

english, 1989