Volume 19; Issue 4

Journal of Structural Chemistry

Volume 19; Issue 4

1

Critical analysis of the nonempirical NDDO scheme for the case of calculations for the CO and CO2molecules

A. S. Zyubin, N. M. Klimenko, O. P. Charkin

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 665 KB

english, 1978

2

Nonempirical calculations for molecules in restricted bases of Gaussian functions

M. D. Dolgushin, Yu. A. Kruglyak, V. M. Pinchuk

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 615 KB

english, 1978

3

Examination of the interactions M−OH2and MOH2...OH2based on semi-empirical calculations of the electronic structure of partly hydrated cations

V. M. Tret'yak, V. I. Baranovskii, O. V. Sizova, G. V. Kozhevnikova

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 440 KB

english, 1978

4

Application of the ionic model for the analysis of intramolecular motion in molecules of alkali metal metaborates

Yu. S. Ezhov, V. S. Vinogradov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 386 KB

english, 1978

5

π-Electron ring currents, proton magnetic shielding, and the diamagnetic susceptibility of azoles in the MO LCAO SCF method

Yu. B. Vysotskii

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 663 KB

english, 1978

6

Spin-spin coupling constants of the13C and1H nuclei in 1,3-and 1,4-difluorobenzene

V. A. Chertkov, N. M. Sergeev

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 569 KB

english, 1978

7

Influence of the nature of the heteroatoms on the structure of the H- and Zn-chelate rings in various derivatives of five-membered heterocyclic compounds.1H and13C NMR

L. N. Kurkovskaya, N. N. Shapet'ko, I. Ya. Kvitko, L. V. Alam, E. A. Panfilova, A. V. El'tsov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 497 KB

english, 1978

8

Influence of the stereoisomerization of triarylphosphines on the parameters of the13C NMR spectra

V. V. Negrebetskii, L. Ya. Bogel'fer, A. I. Bokanov, N. A. Rozanel'skaya, B. I. Stepanov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 319 KB

english, 1978

9

Study of organomercury compounds by high-resolution NMR

L. A. Fedorov, B. A. Faingor, L. S. Golovchenko, D. N. Kravtsov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 507 KB

english, 1978

10

NMR study of the mobility of the fluoride ions and hydroxide groups in apatites

A. M. Vakhrameev, N. A. Sergeev

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 539 KB

english, 1978

11

Molecular dynamics of the Cl3PNC(CH3)3crystal from1H NMR and35Cl NQR data

G. E. Kibrik, I. A. Kyuntsel', V. A. Mokeeva, Yu. I. Rozenberg, G. B. Soifer

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 280 KB

english, 1978

12

ESR parameters of d1(d9) ions in a crystal field of trigonal symmetry

V. E. Istomin, M. Ya. Shcherbakova

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 485 KB

english, 1978

13

Adducts of β-diketonato-complexes of vo2+and Cu2+, from ESR data

N. A. Geraseva, A. A. Shklyaev, A. S. Zanina, V. F. Anufrienko

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 475 KB

english, 1978

14

Quasiline luminescence spectra of the free radicals of methyl-, ethyl-, and n-propylbenzenes in iso-octane at 20k

Kh. I. Memedov, M. M. Khalilov, I. K. Nasibov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 1008 KB

english, 1978

15

Absorption spectra and association of Sn(II)-phthalocyanine

G. N. Meshkova, A. T. Vartanyan, A. N. Sidorov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 393 KB

english, 1978

16

Crystal structure of di-(p-anisyl)-telluronium 4,4-dimethyl-2,6-dioxocyclohexanylide

V. V. Tkachev, L. O. Atovmyan, I. D. Sadekov, A. I. Usachev, V. I. Minkin

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 246 KB

english, 1978

17

X-ray diffraction study of nickel(II) 5-S-propyl-8-mercaptoquinolinate

O. G. Matyukhina, Ya. K. Ozols, Ya. É. Leeis

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 302 KB

english, 1978

18

Stereochemistry of copper in salicylidene-iminato-complexes

A. N. Shnulin, Kh. S. Mamedov, Yu. T. Struchkov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 527 KB

english, 1978

19

Crystal and molecular structure of 1-oxyl-2,2,5,5-tetramethylpyrrolidine-2-hydroxy-5-bromosalicylidene-imine

M. K. Guseinova, S. D. Mamedov, I. R. Amiraslanov, T. M. Kutovaya

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 228 KB

english, 1978

20

Structure of the complexes of transition metals with paramagnetic ligands

M. K. Guseinova, S. D. Mamedov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 501 KB

english, 1978

21

Structure of the complexes of transition metals with paramagnetic ligands

M. K. Guseinova, S. D. Mamedov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 381 KB

english, 1978

22

Nonempirical calculation of the potential surface for the formation of the hydrazinium ion

O. Yu. Dolgunicheva, N. M. Vitkovskaya, V. B. Mantsivoda

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 263 KB

english, 1978

23

Study of the conformational stability of 1,4,5,8-tetrathiotetralin by the CNDO/2 method

O. M. Tsyguleva, L. A. Sleta, I. V. Krivoshei

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 251 KB

english, 1978

24

Estimation of the charges of atoms in molecules by the method of self-consistency of the electronegativities

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 171 KB

english, 1978

25

Analytical calculation of two-center coulomb and hybrid integrals with orbitals of the slater type

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 134 KB

english, 1978

26

Gradient expansion of the energy of atoms

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 316 KB

english, 1978

27

Set of programs realizing the SCF method in the one-configuration and many-configuration approximations

V. A. Kuprievich, V. E. Klimenko

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 165 KB

english, 1978

28

Neutron diffraction study of lead germanate PbGeO3

Yu. Z. Nozik, B. A. Maksimov, L. E. Fykin, V. Ya. Dudarev, L. S. Garashina, V. T. Gabrielyan

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 191 KB

english, 1978

29

Polarographic study of the structure of silicate melts

I. B. Bobylev, V. N. Anfilogov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 258 KB

english, 1978

30

Calculation of the magnetic shielding of nitrogen nuclei

Yu. B. Vysotskii

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 234 KB

english, 1978

31

Influence of ligand replacement on the quadrupole relaxation in liquid solutions of salts

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 242 KB

english, 1978

32

Characteristic photoconducting and spectral features of the molecular complex pyrene - tetracyanoquinodimethane

N. L. Kramarenko, Yu. V. Naboikin, V. S. Paivin

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 264 KB

english, 1978

33

Microwave spectrum of cyclopentanone-113C, -213C, and -313C and the structure of the ring

A. Kh. Mamleev, L. N. Gunderova, N. M. Pozdeev

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 206 KB

english, 1978

34

Microwave spectrum, internal rotation, and dipole moment of 2-methylselenophene

N. M. Pozdeev, L. N. Gunderova, R. G. Latypova, N. N. Magdesieva

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 299 KB

english, 1978

35

Influence of electronegative substituents on the energy of dimerization of monocarboxylic acids

I. S. Perelygin, A. M. Afanas'eva, A. K. Khairetdinova

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 250 KB

english, 1978

36

Characteristic structural features of shock-compressed BN, from infrared spectroscopic data

S. S. Batsanov, M. E. V. Lazareva

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 232 KB

english, 1978

37

Characteristic structural features of various quinonoid compounds

P. A. Morozov, A. A. Lugovskoi, N. K. Morozova, V. P. Bukalov, A. P. Tuseev

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 125 KB

english, 1978

38

Structure of di-tert-butylpivaloylphosphine oxide

B. N. Laskorin, V. V. Yakshin, L. I. Sokal'skaya

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 160 KB

english, 1978

39

Identification of the peaks of a real patterson function of the compound BaBr2· 3CO(NH2)2by a symbolic method

K. A. Potekhin, V. G. Rau, E. N. Kurkutova, V. V. Ilyukhin, N. V. Belov

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 228 KB

english, 1978

40

Electron-diffraction determination of the length of the iodine - carbon bond in C, C′-di-iodoneocarborane 1,7-C2I2B10H10

V. S. Mastryukov, L. V. Vilkov, A. V. Golubinskii, E. L. Osina, E. G. Atavin

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 165 KB

english, 1978

41

Crystal structure of sodium bis-β-hydroxyethyliminodiacetatonickelate(II) tetrahydrate

I. N. Polyakova, T. N. Polynova, M. A. Porai-Koshits, N. D. Mitrofanova

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 141 KB

english, 1978

42

Crystal structure of lithium bis-β-hydroxyethyliminodiacetatoytterbate(III) tetrahydrate

I. N. Polyakova, T. N. Polynova, M. A. Porai-Koshits, N. D. Mitrofanova

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 142 KB

english, 1978

43

Crystal structure of cesium bis-β-hydroxyethyliminodiacetatocobaltate(II) tetrahydrate

I. N. Polyakova, T. N. Polynova, M. A. Porai-Koshits, N. D. Mitrofanova

Journal:

Journal of Structural Chemistry

Year:

1978

Language:

english

File:

PDF, 93 KB

english, 1978