Volume 28; Issue 6

Journal of Structural Chemistry

Volume 28; Issue 6

1

Symmetry of wave functions and degeneracy of one-electron levels in the spin-extended Hartree-Fock method in the example of 4n-cyclopolyenes

G. E. Vaiman, Yu. B. Vysotskii, S. I. Smirnov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 334 KB

english, 1987

2

New formula for dependence of molecular electronic energy on internuclear distance

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 402 KB

english, 1987

3

Calculation of the ionization potentials of transition-metal dimers by the discrete-variation-Xαmethod

G. L. Gutsev, V. D. Lutatskaya, A. P. Klyagina, A. A. Levin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 382 KB

english, 1987

4

Structure and valence isomerization of antiaromatic molecules XI. Theoretical investigation of the valence isomerizations of cyclobutadiyne

M. N. Glukhovtsev, B. Ya. Simkin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 536 KB

english, 1987

5

Quantum-chemical semiempirical calculations of 1-methylsilatrane

Zh. E. Grabovskaya, N. M. Klimenko, G. N. Kartsev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 559 KB

english, 1987

6

Determination of structures of molecules of lower halides of transition elements by gas electron-diffraction analysis. I. Titanium trichloride

G. I. Mamaeva, G. V. Romanov, V. P. Spiridonov, S. I. Troyanov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 300 KB

english, 1987

7

Shielding tensor of199Hg nuclei in polycrystalline HgCl2, Hg(CN)2, and iso-C3H7HgCl

Yu. K. Grishin, D. V. Bazhenov, Yu. A. Ustynyuk, V. M. Mastikhin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 363 KB

english, 1987

8

Reorientation of molecules in a Cl3P=NCCl2CF3crystal according to NQR data

I. A. Kyuntsel', V. A. Mokeeva, G. B. Soifer

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 323 KB

english, 1987

9

Application of autoregression methods of spectral analysis to the treatment of EXAFS spectra

T. A. Davydova, Yu. V. Ponomarev, Yu. A. Turutin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 437 KB

english, 1987

10

Theoretical structures of crystalline benzen. VI. Global search in the bisystemic structural class

A. V. Dzyabchenko

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 660 KB

english, 1987

11

Interionic and ion-molecular interactions in solutions of perchlorates, nitrates, and thiocyanates of alkali and alkaline-earth elements in hexamethylphosphoric triamide

I. S. Perelygin, N. N. Beloborodova, S. I. Gryaznov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 505 KB

english, 1987

12

Cation distribution in binary oxides with spinel structure. A model quantum-chemical approach

N. N. Litinskaya, G. P. Popov, A. N. Men', V. M. Lazauskas

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 458 KB

english, 1987

13

Crystal and molecular structure of diaquobis(nitroaminoguanidine)nickel(II) nitrate [Ni(CH5N5O2)2(H2O)2] (NO3)2

G. V. Romanenko, L. A. Sheludyakova, L. I. Vasil'eva, N. V. Podberezskaya, V. L. Varand

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 354 KB

english, 1987

14

Crystal and molecular structures of the sulfate and the hydrate of 2-(p-aminophenyl)benzimidazol-5-amine (C13H12N4·2H2SO4and C13H12N4·H2O)

N. V. Novozhilova, N. S. Magomedova, G. L. Tudorovskaya, V. K. Bel'skii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 510 KB

english, 1987

15

Structure of β-diols

E. J. Silins, A. A. Kemme, J. J. Bleidelis, G. V. Ozolins

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 420 KB

english, 1987

16

Heterocyclic analogs of steroids. XV. Crystal and molecular structure of (±)15α-methyl-13α-8-aza-16-oxa-estra-1,3,5(10)-triene-17-one, C17H21NO2

N. M. Galitskii, G. A. Yasnitskii, V. I. Gritsuk, L. G. Lis, F. A. Lakhvich

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 330 KB

english, 1987

17

Numerical methods in solution theory

I. I. Sheikhet, B. Ya. Simkin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 2.10 MB

english, 1987

18

MNDO calculations of Mg compounds

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 267 KB

english, 1987

19

Bond functions in calculating X-ray structure factors for diamond-structure crystals

N. V. Shokhirev, Yu. A. Rozenberg, L. I. Kleshchinskii, L. G. Andrievskaya

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 368 KB

english, 1987

20

Computer program for optimization of a molecular basis in the calculation of excited state energies in the single-determinant approximation

V. N. Glushkov, A. Ya. Tsaune, A. I. Aprasyukhin, V. I. Karliichuk

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 178 KB

english, 1987

21

Negative linear deuterium isotope shift for13C in iodoform

N. M. Sergeev, N. D. Sergeeva, L. F. Kobets

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 92 KB

english, 1987

22

Automated search for structural fragments. Algorithm and program

M. I. Stankevich, I. I. Baskin, N. S. Zefirov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 199 KB

english, 1987

23

Molecular and crystal structure of 2-phenyl-5,6-benzo-1,3,2-dioxaarsepin

A. A. Gazikasheva, I. A. Litvinov, V. A. Naumov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 280 KB

english, 1987

24

Crystal structure of lithium hydroacetate

V. K. Trunov, N. O. Endeladze, S. S. Makarevich, N. I. Pirtskhalava

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 179 KB

english, 1987

25

Molecular and crystal structure of 2-diethylamino-2-oxo-4,5,7,8-dinaphtho[1,2,1′,2′]-6H-1,3,2-dioxaphosphocine

I. A. Litvinov, V. A. Naumov, R. P. Arshinova

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 360 KB

english, 1987

26

Crystal structure of 2,2-diphenyl-1,3,6,2-trioxasilocane

E. B. Chuklanova, A. I. Gusev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 205 KB

english, 1987

27

Molecular structure of p-tolyldimethylphosphine sulfide p-CH3C6H4P(S)(CH3)2

V. V. Tkachev, A. A. Shvets, L. M. Tokina, O. A. Osipov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 345 KB

english, 1987

28

Methyl ester of 3α-methoxycarbonyloxy-12-ketochol-7-enoic acid

S. V. Lindeman, Yu. T. Struchkov, A. V. Kamernitskii, I. G. Reshetova, S. V. Chernov, V. G. Levi

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 172 KB

english, 1987

29

Crystal and molecular structure of hexamethylenetriamine-ammonium isothiocyanate

A. N. Chernega, A. I. Yanovskii, Yu. T. Struchkov, E. A. Stukalo, L. N. Markovskii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 157 KB

english, 1987

30

X-ray structural study of organic ligands of the complexone type. XIV. Crystal and molecular structure of diphenylphosphineacetic acid

L. M. Shkol'nikova, A. A. Masyuk, N. M. Dyatlova, J. Podlahova

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 237 KB

english, 1987

31

Construction and properties of supplementary solutions of the Hartree-Fock equations for the closed shell

B. N. Plakhutin, G. M. Zhidomirov, M. M. Mestechkin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 640 KB

english, 1987