Volume 28; Issue 4

Journal of Structural Chemistry

Volume 28; Issue 4

1

Application of molecular mechanics method to structural calculations of π-complexes of transition metals

Yu. L. Slovokhotov, T. V. Timofeeva, Yu. T. Struchkov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 869 KB

english, 1987

2

Using a measured electron-density distribution in electronicstructure calculation by Hartree-Fock methods

E. V. Stefanovich

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 343 KB

english, 1987

3

Hydrogen molecular ions at cation nodes in LiF crystals

S. N. Mysovskii, A. I. Nepomnyashchikh, A. L. Shlyuger

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 267 KB

english, 1987

4

Influence of defects in the carbon chain on the electronic structure and the relative stability of carbyne type macromolecules

D. A. Bochvar, I. V. Stankevich, E. G. Gal'pern, R. Sh. Bakuradze

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 325 KB

english, 1987

5

Structure and valence isomerizations of antiaromatic molecules. XIII. Relative stability of cyclobutadiene and its aza-substituted derivatives

M. N. Glukhovtsev, B. Ya. Simkin, V. I. Minkin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 612 KB

english, 1987

6

Localization of electrons in mixed-valence dimers in the case of pseudodegenerate electronic states

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 372 KB

english, 1987

7

Influence of anion vacancies on the electronic structure of MoO3and V2O5

A. L. Ivanovskii, V. A. Gubanov, F. Vergel'

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 360 KB

english, 1987

8

Possible approach to the quantitative evaluation of the asymmetry of molecules

V. E. Kuz'min, I. B. Stel'makh

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 479 KB

english, 1987

9

Use of an asymmetry function for the quantitative evaluation of the properties of moecules caused by chirality

V. E. Kuz'min, I. B. Stel'makh

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 443 KB

english, 1987

10

Potential functions of internal rotation in symmetrical ortho-unsubstituted biphenyls

P. B. Kurapov, N. A. Klyuev, V. I. Tyulin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 462 KB

english, 1987

11

Conformational behavior of methyldialkoxysilanes by the MNDO method and IR spectroscopy

Z. I. Safarova, V. I. Larionov, I. G. Bresler, R. S. Musavirov, T. F. Akhunov, D. L. Rakhmankulov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 541 KB

english, 1987

12

Comparative investigation of the electronic structure of nitro-nitrito linkage isomers of cobalt(III) pentaammines

I. N. Timonova, É. A. Kravtsova, E. V. Boldyreva, L. N. Mazalov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 831 KB

english, 1987

13

Special features of the interpretation of(L_{eta _2 } )x-ray emission spectra of paramagnetic complexes of ruthenium

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

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 557 KB

english, 1987

14

Model for the structures of intercalation compounds based on graphite fluoride

N. F. Yudanov, L. I. Chernyavskii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 615 KB

english, 1987

15

Crystalline carbon allotropes: Relative stability and electronic spectra

I. V. Stankevich, M. V. Nikerov, E. G. Gal'pern, D. A. Bochvar

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 456 KB

english, 1987

16

Crystal structure of tris(triphenylphosphine) palladium

V. S. Sergienko, M. A. Porai-Koshits

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 350 KB

english, 1987

17

Crystal structure of organosilicon compounds. XLV. 1-(Bromodimethylsilylmethyl)-2-piperidone

A. A. Macharashvili, Yu. I. Baukov, E. P. Kramarova, G. I. Oleneva, V. A. Pestunovich, Yu. T. Struchkov, V. E. Shklover

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 372 KB

english, 1987

18

Crystal structure of organosilicon compounds XLVI. 4-cyano-4′-(3″-methyldiphenylsilyl)propoxybiphenyl

V. E. Shklover, Yu. É. Ovchinnikov, A. I. Yanovskii, Yu. T. Struchkov, V. I. Rokitskaya, V. F. Traven'

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 277 KB

english, 1987

19

X-ray structural investigation of 2,5,5-trimethyl-2(α-chloromercurvinyl)-4-phenyl-3-imidazolin-oxyl

L. G. Kuz'mina, Yu. T. Struchkov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 304 KB

english, 1987

20

Crystal and molecular structure of N-(2,4,6-trinitrophenyl)-N,N′-DI-n-anisylbenzamidine

N. G. Furmanova

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 507 KB

english, 1987

21

Structural and chemical features of cholinergic compounds 1. Molecular and crystal structure of 2-diethylaminoethyl benzylate hydrochloride (amizyl)

N. B. Brovtsyna, V. S. Fundamenskii, T. I. Malinovskii, Yu. S. Borodkin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 615 KB

english, 1987

22

Crystal and molecular structure of 2a,3,4,5-tetrahydro-2,2a,3,4,5,6-hexachloracenaphthene

Yu. G. Ganin, V. F. Anikin, O. N. Rebrova, A. A. Lyutikova, S. V. Krutius

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 372 KB

english, 1987

23

X-ray structural investigation of organic ligands of the complexone type. XIII. Crystal and molecular structure of β-oxyethyliminodipropionic acid

A. E. Obodovskaya, L. M. Shkol'nikova, A. L. Poznyak

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 596 KB

english, 1987

24

Quantum-chemical methods and materials science problems

A. M. Dobrotvorskii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 473 KB

english, 1987

25

Semiempirical quantum-chemical structure and electronic-spectrum calculations for transition-metal complexes

K. A. Kon'kov, G. M. Zhidomirov, Yu. V. Ivanov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 143 KB

english, 1987

26

Quantum-chemical study of hydroxylamine coordination by Ni2+and Zn2+

E. M. Ivashkovich, Yu. A. Kruglyak, A. F. Gurko

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 241 KB

english, 1987

27

MNDO analysis of aliphatic diacyl peroxide conformation

I. P. Zyat'kov, D. I. Sagaidak, V. I. Gogolinskii, G. A. Pitsevich, N. D. Knyazhevich

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 188 KB

english, 1987

28

Relationship between lengths of endo- and exocyclic phosphorus-nitrogen bonds in substituted triazaphosphorines

I. I. Boldeskul, A. S. Tarasevich

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 160 KB

english, 1987

29

Additive scheme for calculating the polarization energy for interaction between a molecule and a proton

T. S. Isichenko, V. B. Luzhkov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 139 KB

english, 1987

30

Structure of 1,2,3-diazaphosphole and several of its derivatives. Use of the results of nonempirical quantum chemical calculations in the electron diffraction investigation of 2-acetyl-5-methyl-and 5-methyl-2-phenyl-1,2,3-diazaphospholes

L. S. Khaikin, O. E. Grikina, L. V. Vilkov, J. E. Boggs

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 406 KB

english, 1987

31

Structure of complexes of formaldehyde with pentafluorophenol

S. F. Bureiko, N. S. Golubev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 354 KB

english, 1987

32

Programs for investigation of plane atomic networks in crystals

N. A. Bliznyuk, E. N. Ipatova, S. V'. Borisov, L. P. Solo'eva, S. V. Tsybulya

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 321 KB

english, 1987

33

Molecular and crystal structure of 1,2-dihydro-1-tetrafluoroethylidene-2,2-difluoro-4-phenylcyclobuta[1a,2a]naphthalene

S. V. Sereda, M. Yu. Antipin, Yu. T. Struchkov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 203 KB

english, 1987

34

Crystal and molecular structure of (2,6-dimethoxyphenyl)-trichlorostannane

S. N. Gurkova, A. I. Gusev, N. V. Alekseev, V. P. Feshin, I. M. Lazarev, G. V. Dolgushin, M. G. Voronkov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 259 KB

english, 1987

35

X-ray diffraction study of 1,3,12,14-tetraaza-6,9,17,20,25-pentaoxabicyclo-[12,8,5]-heptacosane-2,13-dithione

Yu. A. Simonov, A. A. Dvorkin, T. I. Kirichenko, N. G. Luk'yanenko, S. V. Shcherbakov, T. I. Malinovskii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 275 KB

english, 1987

36

Crystal and molecular structure of (N-methylpyrrolindin-2-ylidene)-cyanomethylenediphenylphosphine oxide

I. N. Polyakova, Z. A. Starikova, V. A. Kozlov, S. g. Churusova

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 198 KB

english, 1987

37

Structure of a molecule of potassium metaphosphate

G. V. Girichev, N. I. Girichev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 212 KB

english, 1987

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