Volume 28; Issue 5

Journal of Structural Chemistry

Volume 28; Issue 5

1

Solution of problem of determining spin properties of molecules in unitary formalism of quantum chemistry

G. T. Klimko, A. V. Luzanov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 426 KB

english, 1987

2

Nonmonotonic change in kinetic energy of electrons in forming a molecule

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 479 KB

english, 1987

3

SCF Xα-SW calculations of XANES and EXAFS of Pt atom in chloride complexes

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

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 308 KB

english, 1987

4

Parameters of MNDO method for Zn atom

A. A. Voityuk, A. A. Bliznyuk

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 293 KB

english, 1987

5

AB initio investigation of geometric and electronic structure of BF3OOH−anion

G. P. Schetinina, V. L. Pershin, B. N. Chernyshov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 408 KB

english, 1987

6

Analysis of structural dependence of anisotropic hyperfine interactions of14N in nitrosyl radicals, in the ab initio Hartree-Fock approximation

S. A. Mustafaev, R. N. Musin, B. S. Braginskii, P. V. Schastnev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 458 KB

english, 1987

7

Influence of geometric and electronic factors on quadrupole constants XN

S. A. Mustafaev, P. V. Schastnev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 320 KB

english, 1987

8

Application of finite perturbation method in calculating g-factors of free radicals

S. A. Mustafaev, V. G. Malkin, P. V. Schastnev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 526 KB

english, 1987

9

Structure of the 3,3-dimethyl-3-silathietane molecule according to data from gas-phase electron diffraction analysis with consideration of vibrational effects

V. S. Mastryukov, S. A. Strelkov, A. V. Golubinskii, L. V. Vilkov, L. V. Khristenko, S. V. Krasnoshchekov, Yu. A. Pentin, S. V. Kirpichenko, E. N. Suslova, M. G. Voronkov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 423 KB

english, 1987

10

Semirigid model of the deformation-rotation hamiltonian in the electron diffraction analysis of triatomic molecules. III. chromium difluoride

E. Z. Zasorin, A. G. Gershikov, V. P. Spiridonov, A. A. Ivanov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 372 KB

english, 1987

11

Molecular structure and molecular organization of the phase states of mesogenic complexes of the homologous series of copper(II) N-(4-alkoxyphenyl)-4-heptyloxysalicylaldiminates according to ESR data

I. G. Bikchantaev, Yu. G. Galyametdinov, I. V. Ovchinnikov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 645 KB

english, 1987

12

Nature of the electronic interactions of the NO group with the metal atom and its charge state in substituted nitroso complexes of Ru according to x-ray spectra

É. A. Kravtsova, L. N. Mazalov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 530 KB

english, 1987

13

Electronic structure of molecules of substituted benzenes by X-ray spectroscopy. I. Nitrobenzene

V. D. Yumatov, V. V. Murakhtanov, N. F. Salakhutdinov, A. V. Okotrub, L. N. Mazalov, L. G. Logunova, V. A. Koptyug, G. G. Furin

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 571 KB

english, 1987

14

Continuum model for proton transfer in ice containing symmetrical hydrogen bonds

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 494 KB

english, 1987

15

Aqueous ammonium fluoride solutions: Dielectric and structural parameters

A. K. Lyashchenko, G. V. Kokovina, A. S. Lileev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 414 KB

english, 1987

16

Molecular mobility and structure in water-acetone mixtures

A. I. Toryanik, V. N. Taranenko

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 514 KB

english, 1987

17

Nonelectrolyte effects on supercooled-water crystallization temperatures

E. P. Skorobogat'ko, A. V. Arkharov, E. V. Kharchenko

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 315 KB

english, 1987

18

Molecular and crystal structure of bis(trichloromethyl) trichlorophosphorane (Cl3C)2PCl3

M. Yu. Antipin, A. N. Chernega, Yu. T. Struchkov, É. S. Kozlov, I. E. Boldeskul

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 324 KB

english, 1987

19

Molecular and crystal structure of the methyl ester of 2-chloromercuri-3-trifluoroacetoxy-2,3-diphenylcyclopropane-1-carboxylic acid

L. G. Kuz'mina, Yu. T. Struchkov, A. N. Chernov, V. R. Kartashov, N. V. Malisova, E. V. Skorobogatova

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 376 KB

english, 1987

20

Crystal structure of organosilicon compounds. XLVII. 1-(chlorodimethylsilylmethyl)-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, 371 KB

english, 1987

21

Structure and molecular spectroscopy of gas-phase complexes

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 2.62 MB

english, 1987

22

Calculating overlap intergals with slater-type orbitals in the molecular coordinate system

I. I. Guseinov, É. M. Imamov, F. G. Pashaev, E. Kh. Ismailov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 137 KB

english, 1987

23

Nonempirical study of the interaction of CO and Co, Co+, and Co2+

V. B. Kobychev, N. M. Vitkovskaya, F. K. Shmidt

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 169 KB

english, 1987

24

Alkane isomer family and superfamily classification

M. I. Gverdtsiteli, G. A. Gamziani

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 188 KB

english, 1987

25

Repeat electron diffraction study of trimethyltrithiophosphite structure

O. N. Kataeva, V. A. Naumov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 225 KB

english, 1987

26

Program to implement MNDO/VS with analytic first-derivative computation and vibrational-spectrum calculation

A. T. Pilipenko, V. A. Zaets, V. D. Khavryuchenko, E. R. Falendysh

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 145 KB

english, 1987

27

Copper-schiff base complex forming a mesophase: Magnetic and structural parameters

I. G. Bikchantaev, A. P. Polishchuk, I. V. Ovchinnikov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 166 KB

english, 1987

28

Mössbauer study on K2Fe2(CO)8in an external magnetic field

I. L. Arkhipov, N. V. Kireev, R. A. Stukan, S. M. Yunusov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 224 KB

english, 1987

29

Correcting for the molecular interaction contribution to magnetic susceptibility

A. B. Gel'man, V. N. Ikorskii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 215 KB

english, 1987

30

Electronic structure of palladium nitrosyls

É. A. Kravtsova, L. N. Mazalov, S. S. Kurasov, V. A. Mikhailov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 286 KB

english, 1987

31

Bonding character and s-p hybridization of orbitals of hydride molecules according to photoelectron spectroscopy data

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 246 KB

english, 1987

32

Molecular and crystal structure of triglycidyl isocyanurate

Yu. N. Saf'yanov, V. P. Golovachev

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 248 KB

english, 1987

33

Crystal structure of 1(2-thiomethoxynapthylidene) (4′-methoxyaniline), C19H17ONS

I. A. Baidina, S. V. Borisov, G. K. Parygina

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 321 KB

english, 1987

34

Crystal structure of phenol at 123oK

V. E. Zavodnik, V. K. Bel'skii, P. M. Zorkii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 253 KB

english, 1987

35

Crystal and molecular structure of a 4-nitro-6(5H)-phenanthridinone

L. A. Chetkina, O. V. Semidetko, V. A. Shuvaeva, A. N. Poplavskii, V. K. Bel'skii, A. M. Andrievskii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 248 KB

english, 1987

36

Crystal structure of N-triethylstannylsuccinimide

E. V. Chuprunov, N. E. Stolyarova, V. I. Shcherbakov, T. N. Tarkhova

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 210 KB

english, 1987

37

Crystal and molecular structure of 2-bromphenoxycetyl-4-ethylbenzene

T. A. Atabaev, K. Sh. Karaev, A. Ashirov, A. Kazakov

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 194 KB

english, 1987

38

Structure of o-toluidine (C14H16N2). repeated determination

V. K. Bel'skii, L. A. Chetkina, V. A. Shuvaeva

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 223 KB

english, 1987

39

Structure of 2, 7, 9-trimethyl-10-phenyl-9-aza-10-boraanthracene

V. K. Bel'skii, S. V. Nesterova, V. O. Reikhsfel'd

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 238 KB

english, 1987

40

Simplifying the self-consistent procedure in crystal electronic-structure calculations

R. A. Évarestov, V. A. Veryazov, A. V. Leko

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 66 KB

english, 1987

41

Tin(II) coordination compound with pyrotartaric acid thiosemicarbazone: Synthesis and structure

I. F. Burshtein, N. V. Gérbéléu, A. Yu. Kon, O. A. Bologa, T. I. Malinovskii

Journal:

Journal of Structural Chemistry

Year:

1987

Language:

english

File:

PDF, 295 KB

english, 1987

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