Volume 35; Issue 2

Journal of Structural Chemistry

Volume 35; Issue 2

1

Regularization method and molecular integrals with singular exponential functions

I. V. Maslov, A. N. Niukkanen

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 501 KB

english, 1994

2

Asymptotic formulas for Coulomb and hybrid integrals with slater type functions

I. V. Maslov, A. N. Niukkanen

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 256 KB

english, 1994

3

A new method to calculate overlap integrals of vibrational wave functions in the theory of vibronic spectra of polyatomic molecules

V. I. Baranov, D. Yu. Zelentsov

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 484 KB

english, 1994

4

Electronic structure and properties of isolectronically substituted compounds Y1Ba2−mMmCu3O7and Y1Ba2−mMmCu4O8(M=Be, Mg, Ca, Sr, Ba, Ra)

A. I. Ermakov, E. A. Zharikova, N. A. Markushin, A. V. Vishnyakov, I. E. Kuznetsov

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 527 KB

english, 1994

5

Ab initiocalculations of interaction between the hydrated Fe2+ion and molecular ozone

I. I. Zakharov, O. I. Kolbasina, T. N. Semenyuk, I. V. Yudanov, N. F. Tyupalo, G. M. Zhidomirov

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 366 KB

english, 1994

6

To the theory of electron scattering by polyatomic molecules

M. D. Él'kin, É. K. Kosterina

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 316 KB

english, 1994

7

Data selection for structure generation in structure elucidation systems using molecular spectroscopy databases

S. G. Molodtsov, K. S. Lebedev, B. G. Derendyaev

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 419 KB

english, 1994

8

35Cl NQR study of CCl3reorientations in the carbonyl-containing derivatives of 3,3,3-trichloropropene

A. D. Gordeev, I. A. Kyuntsel, V. A. Mokeeva, G. B. Soifer, V. V. Shchepin

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 370 KB

english, 1994

9

Electronic structure analysis of 4-chlorophenylisoxazoles and 4-chloroisoxazolines by35Cl NQR spectra and quantum chemical calculations

O. Kh. Poleshchuk, Ya. Koput, T. A. Babushkina, S. D. Sokolov

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 408 KB

english, 1994

10

Photoelectron spectra andab initiocalculations of the electronic structure of amino-n-sulfenyl chlorides

V. V. Zverev, B. M. Musin, V. M. Vakar', Z. G. Bazhanova, V. B. Ivanov

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 287 KB

english, 1994

11

Computational modeling of amorphous silica. 1. Modeling the starting structures. A general conception

V. D. Khavryuchenko, E. F. Sheka

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 627 KB

english, 1994

12

High-resolution diffractometer for structural studies of polycrystalline materials

A. N. Shmakov, S. V. Mytnichenko, S. V. Tsybulya, L. P. Solovyeva, B. P. Tolochko

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 294 KB

english, 1994

13

The structure of the framework strontium aluminate Sr6[Al12O24]·Bi2O3with an included Bi2O3“molecule”

V. V. Bakakin, N. V. Podberezskaya, M. D. Mazus, L. P. Kozeeva, V. P. Shaburova, T. I. Malinovskii

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 512 KB

english, 1994

14

Comparative study of crystal structures of [M(NH3)5NO2]XY and [M(NH3)5ONO]XY. Crystal structure of [Co(NH3)5NO2](NO3)2·0.25H2O

A. V. Virovets, E. V. Boldyreva, L. P. Burleva, V. E. Dulepov, N. V. Podberezskaya

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 322 KB

english, 1994

15

Synthesis of mixed-ligand managanese(II) complexes with alkyl xanthate ions and nitrogen-containing heterocycles. Crystal and molecular structure of the [Mn(S2COC3H7−i)2(2,2′-Bipy)] complex

V. N. Kirichenko, L. A. Glinskaya, R. F. Klevtsova, T. G. Leonova, S. V. Larionov

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 346 KB

english, 1994

16

Crystal, molecular, and electronic structure of carboxylate [Fe3O(CH3COO)6(H2O)3]NO3·4H2O

K. I. Turte, S. G. Shova, F. A. Spatar, M. D. Mazus, T. I. Malinovskii

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 537 KB

english, 1994

17

The notion of structure in modern chemistry. 1. Levels and aspects of modeling and description

P. M. Zorkii, L. V. Lanshina, E. Yu. Korableva

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 308 KB

english, 1994

18

Self-consistent calculation of the electronic structure of surfaces of transition and noble metals

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 155 KB

english, 1994

19

Multicenter one-electron integrals with slater functions of the operatorrl+2kYl, m(r)

I. V. Maslov, A. V. Niukkanen

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 95 KB

english, 1994

20

Calculation of cohesive and mixing energies and equilibrium parameters of solid alkaline earth fluoride solutions

L. M. Iomin, A. I. Livshits

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 187 KB

english, 1994

21

Evolution of OH-vibration bandshape in liquids upon hydrogen bond strengthening

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 222 KB

english, 1994

22

Crystal and molecular structure of Cu(II) and Ni(II) complexes with N-arylthiopicolineamides

Z. G. Aliev, L. O. Atovmyan, A. P. Ranskii, B. A. Bovykin, V. I. Kolyada

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 179 KB

english, 1994

23

MNDO parameters for As atoms

S. K. Ignatov, A. G. Razuvaev

Journal:

Journal of Structural Chemistry

Year:

1994

Language:

english

File:

PDF, 137 KB

english, 1994