Volume 22; Issue 1

Theoretical and Experimental Chemistry

Volume 22; Issue 1

1

Basis extension in the Roothaan method

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 621 KB

english, 1986

2

Calculation of lower electronic states of the GaO and InO molecules by the SCF-Xα scattered wave method

V. M. Kovba, I. A. Topol'

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 759 KB

english, 1986

3

Radical hydroxylation of aromatic hydrocarbons examined by MINDO/3 methods

V. V. Lobanov, N. A. Vysotskaya, E. A. Rabovskaya, V. I. Bogillo

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 532 KB

english, 1986

4

Correlation of35Cl NQR frequencies with chlorine-atom p-orbital populations and charges in organic, silicoorganic, and inorganic chlorides

V. P. Feshin, P. A. Nikitin, M. G. Voronkov

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 562 KB

english, 1986

5

ESR, spectroscopic, and quantum-chemical studies on the electronic structures of complexes formed by Cu(I) with radicals

N. P. Gritsan, O. M. Usov, N. V. Shokhirev, I. V. Khmelinskii, V. F. Plyusnin, N. M. Bazhin

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 654 KB

english, 1986

6

Flash photolysis of chloride complexes of Cu(II) in organic solvents

N. P. Gritsan, V. F. Plyusnin, N. M. Bazhin

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 583 KB

english, 1986

7

Photocatalytic conversions of ethanol, initiated by processes of electron phototransfer, in alkoxide-chloride complexes of titanium

A. I. Kryukov, S. Ya. Kuchmii, A. V. Korzhak, A. N. Korol'

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 691 KB

english, 1986

8

Influence of added water on pathways and efficiency of photocatalytic reactions in ethanol solutions of titanium tetrachloride

A. I. Kryukov, S. Ya. Kuchmii, A. V. Korzhak, A. N. Korol'

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 787 KB

english, 1986

9

Complexes of copper with 14–18-membered macrocyclic tetraaza ligands and their participation in oscillating chemical reactions

A. G. Kol'chinskii, L. N. Zakrevskaya, K. B. Yatsimirskii, L. P. Tikhonova

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 609 KB

english, 1986

10

Quantum chemical analysis of pentacoordination of the silicon atom

Yu. L. Frolov, S. G. Shevchenko, M. G. Voronkov

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 525 KB

english, 1986

11

Electronic aspect of the HSAB principle (hard and soft acids and bases)

N. N. Kharabaev, S. F. Breus, V. A. Kogan

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 371 KB

english, 1986

12

Model of intradiffusional kinetics of adsorption on active carbons

A. V. Mamchenko

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 452 KB

english, 1986

13

Thermodynamic and kinetic characteristics of the adsorption of acetone on the KU-23 sulfo-cation exchanger in the absence and presence of palladium

N. V. Pavlenko, L. F. Korzhova, G. I. Golodets, K. M. Vaisberg, Yu. I. Churkin

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 265 KB

english, 1986

14

Heats of adsorption of water on vermiculite having large singly-charged cations in the exchange complex

I. G. Polyakova, V. E. Polyakov, Yu. I. Tarasevich

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 510 KB

english, 1986

15

Polar transition states in reactions of aromatic hydrocarbons with hydroxyl radicals

N. A. Vysotskaya, A. F. Rekasheva, L. N. Bortun

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 271 KB

english, 1986

16

Structure of complexes of divalent copper with phenanthroline in aqueous neutral media according to ESR data

V. V. Chudaev, V. A. Poluboyarov, V. F. Anufrienko, V. P. Tret'yakov, E. S. Rudakov

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 369 KB

english, 1986

17

Synthesis and properties of charge-transfer complexes based on quaternary salts of amines and tetracyanoquinodimethane

V. A. Bondarenko, É. Lazar, K. I. Pokhodnya, M. A. Tanatar

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 245 KB

english, 1986

18

ESR investigation of the electronic structure of the pentacyanocobaltate(II) anion in solutions

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 400 KB

english, 1986

19

Mass-spectrometric investigation of boron derivatives of fluorinated β-diketones

M. O. Lozinskii, Yu. A. Fialkov, V. S. Khomenko, T. A. Rasshinina

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 337 KB

english, 1986

20

Conversion of methanol on a high-silica zeolite with divalent cations

N. P. Samchenko, I. S. Alcheev, Yu. N. Artyukh, V. L. Struzhko

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 437 KB

english, 1986

21

Separated internal force constants for the ethylene and ethane molecules and their use for calculation of the force field for the propylene molecule

V. P. Yakubenko, N. F. Kovalenko, V. P. Morozov

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 401 KB

english, 1986

22

Quantitative description of ordered structures of an adsorbed layer

M. M. Kostyukovskii, S. L. Kiperman

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 171 KB

english, 1986

23

Machine method for the treatment of experimental stepwise-complexation data according to the Bjerrum method

I. P. Sereda, R. N. Trofimchuk

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 290 KB

english, 1986

24

Influence of oxygen on autooscillatory chemiluminescence in system consisting of bromate, malonic acid, and tris-2,2′-bipyridyl complex of ruthenium

A. D. Karavaev, V. P. Kazakov, G. A. Tolstikov

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 497 KB

english, 1986

25

Kinetic model of catalytic oxidation of carbon monoxide on nickel

Yu. I. Pyatnitskii, V. A. Ostapyuk

Journal:

Theoretical and Experimental Chemistry

Year:

1986

Language:

english

File:

PDF, 285 KB

english, 1986