Volume 38; Issue 3

Journal of Structural Chemistry

Volume 38; Issue 3

1

Using many-particle basis sets for electronic energy calculations of molecules

V. P. Morozov, K. G. Vinogradov

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 331 KB

english, 1997

2

Proton potentials for widely varied hydrogen bond lengths in a water dimer

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 521 KB

english, 1997

3

Electronic structure of alkaline metal hydrides according to MO LCAO-SCF-CNDO cluster calculations

E. A. Zharikova, A. I. Ermakov, R. P. Ozerov

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 388 KB

english, 1997

4

Empirical model of orbital relaxation and interatomic distances in molecules with polar chemical bonds

A. I. Ermakov, V. S Ponomarev, N. A. Makrushin, V. A. Kochetov

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 465 KB

english, 1997

5

Electronic structure, spectrum, and intramolecular electron transfer model of [(NH3)5Ru-(4,4’-bipy)-Ru(NH3)5]5+

O. V. Sizova, A. I. Panin, N. V. Ivanova, V. I. Baranovskii

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 665 KB

english, 1997

6

Electronic structure and spin bonds in the [(NH3)5Cr-O-Cr(NH3)5]4+complex

O. V. Sizova, A. I. Panin, V. I. Baranovskii, D. V. Shirokov

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 431 KB

english, 1997

7

Dependence of the Daman intensities of combinations and overtones on the frequency of incident light

S. V. Trukhanov, L. A. Gribov, N. I. Prokofieva

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 276 KB

english, 1997

8

Structure and energy studies of Β-diketonates. 4. vibrational characteristics of Y(DPM)3and Y(DPM)2

N. V. Belova, N. I. Giricheva, G. V. Girichev, V. I. Sokolov, N. P. Kuzmina

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 484 KB

english, 1997

9

Structure and energy studies of Β-diketonates. 5. structure of the Y(DPM)2radical from gas-phase electron diffraction data

N. V. Belova, N. I. Giricheva, G. V. Girichev, S. A. Shlykov, E. V. Kharlanova, N. P. Kuzmina, A. R. Kaul

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 450 KB

english, 1997

10

Determination of molecular constants of scandium triiodide monomer and dimer from electron diffraction data

Yu. S. Ezhov, S. A. Komarov, V. G. Sevast’yanov

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 311 KB

english, 1997

11

NMR studies of the electronic structure of coumarins

G. S. Kupriyanova

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 474 KB

english, 1997

12

Fast atom bombardment mass spectrometric (FAB MS) study of the molecular structure of DI-Μ-guanino-Μ-guanine BIS(CIS-Chlorodiammineplatinum(II))

I. I. Volchenskova, L. V. Keisevich, S. A. Shalimov, N. N. Maidanevich, M. V. Nezhina

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 408 KB

english, 1997

13

Three-level model of defect accumulation during ice formation from liquid water

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 258 KB

english, 1997

14

Synthesis and crystal structure of new complex oxides K10M2+Mo7O27(M2+= Mg, Mn, Co)

S. F. Solodovnikov, R. F. Klevtsova, L. A. Glinskaya, Z. A. Solodovnikova, E. S. Zolotova, P. V. Klevtsov

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 521 KB

english, 1997

15

Crystal structure of lead(II) dipivaloylmethanate

V. V. Krisyuk, I. A. Baidina, S. A. Gromilov, V. I. Alekseev, S. A. Prokhorova

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 330 KB

english, 1997

16

Crystal structure of the copper(II) chloride complex with 3,5Dimethyil-4-Amino-l,2,4-Triazole and water

A. V. Virovets, N. V. Podberezskaya, L. G. Lavrenova

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 368 KB

english, 1997

17

Crystal and molecular structure of 5,5-BIS(hydroxymethyl)-2-OXO-2-[l-(2-trifluoromethyl-3,3,3-trifluoropropioneamido)-1-trifluoromethyl-2,2,2-trifluoroethyl]-1,3,2-dioxaphosphorinane

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 443 KB

english, 1997

18

Molecular structure of 2-phenyl-2-selenoxo-2-phosphabicyclo[4.4.0]decan-5-one

A. A. Espenbetov, Yu. T. Struchkov, O. V. Shiganakova, Yu. G. Bosyakov

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 353 KB

english, 1997

19

Computational methods in the theory of chemical bonding in solids

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 1.87 MB

english, 1997

20

Full configuration interaction calculations of the π-electronic spectra of polycyclic hydrocarbons

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 156 KB

english, 1997

21

Structure of disordered lead indoniobate PbIn1/2Nb1/2O3

S. G. Zhukov, A. V. Yatsenko, S. B. Vakhrushev

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 128 KB

english, 1997

22

Crystal and molecular structure of BIS(Benzoyltrifluoroacetonato)platinum(II)

I. A. Baidina, G. I. Zharkova, V. I. Alekseev, S. A. Gromilov

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 215 KB

english, 1997

23

Molecular and crystal structure of ethyl 6-(n-chlorophenyl)-3,4,6-trioxohexanoate

Z. G. Aliev, S. N. Shurov, E. Yu. Pavlova, Yu. S. Andreichikov, L. O. Atovmyan

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 272 KB

english, 1997

24

1,3-Thiazepines. 3.* Conformational dynamics of 2-aminotetrahydro and 2-iminohexahydro derivatives of 1,3-thiazepine

M. G. Levkovich, N. D. Abdullaev, R. F. Ambartsumova

Journal:

Journal of Structural Chemistry

Year:

1997

Language:

english

File:

PDF, 213 KB

english, 1997