Volume 13; Issue 3

Theoretical and Experimental Chemistry

Volume 13; Issue 3

1

Dynamics of a two-dimensional model of the hydrogen bond and the interlationship between the frequency of the vibrationsν(AH) and the equilibrium interatomic distances A - H and A ... B

N. D. Sokolov, V. A. Savel'ev

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 858 KB

english, 1977

2

The effect of deuteration on the bond length andν(AH) vibrational frequency of a hydrogen bond

N. D. Sokolov, V. A. Savel'ev

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 891 KB

english, 1977

3

Calculation of the energy of molecules at short internuclear distances

N. N. Penkina, T. K. Rebane

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 315 KB

english, 1977

4

Approximate calculation of alternant systems by the spin-extended Hartree - Fock method

M. M. Mestechkin, V. N. Poltavets, V. É. Umanskii, G. E. Vaiman, A. V. Luzanov

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 569 KB

english, 1977

5

CNDO/2 study of the effect of the nature of the substituent on the electronic state of the epoxide ring

E. G. Furman, A. P. Meleshevich

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 517 KB

english, 1977

6

Principles of the analysis of steric effects and the selectivity of complex-formation

M. I. Kabachnik, V. G. Dashevskii, T. Ya. Medved', A. P. Baranov

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 380 KB

english, 1977

7

Conformational analysis of the bidentate ligand, tetramethylmethylenediphosphine dioxide, in its chelate complexes with metals

D. G. Dashevskii, A. P. Baranov, T. Ya. Medved', M. I. Kabachnik

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 693 KB

english, 1977

8

NMR Spectra and microequilibrium constants in izadrin (isadrine) and teranol solutions

K. B. Yatsimirskii, I. S. Chekman, L. I. Budarin, É. D. Romanenko, S. B. Frantsuzova

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 491 KB

english, 1977

9

Influence of the electronic structure of a free radical on complex-formation with a diamagnetic molecule

V. S. Kuts, T. S. Slipenyuk, É. P. Platonova, V. D. Pokhodenko

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 383 KB

english, 1977

10

The use of uhf-saturation effects for studying slow jumplike rotation in the ESR spectra of nitroxyl radicals

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 497 KB

english, 1977

11

The use of holography for studying the kinetics of laser photochemical reactions

V. I. Lutoshkin, S. V. Volkov

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 424 KB

english, 1977

12

Calculation of the hydrogen molecule with a Weinbaum function, supplemented by a floating function

M. N. Adamov, A. I. Razgonov, A. I. Ivanov

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 264 KB

english, 1977

13

Regularized model of a zero-radius potential for multicomponent systems

T. K. Rebane, R. I. Sharibdzhanov

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 312 KB

english, 1977

14

Electronic correlation and structure of fulvene in ground and excited states

N. N. Tyutyulkov, G. D. Neikov, I. N. Kynev

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 308 KB

english, 1977

15

Theoretical investigation of the electron-vibrational spectra and the electronic structure of molecules of phenylacetylene and benzonitrile in the excited electronic state B1

L. S. Kostyuchenko, L. M. Sverdlov, A. Yu. Slepukhin

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 411 KB

english, 1977

16

Calculation of a three-center one-electron integral in slater orbitals with different exponents

L. V. Artamonov, A. M. Grekhov, A. B. Roitsin

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 174 KB

english, 1977

17

First ionization potentials of aromatic molecules containing perfluoroalkyl substituents

G. P. Vdovin, Yu. P. Egorov

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 477 KB

english, 1977

18

Interaction of the macrocyclic polyether dibenzo-18-crown-6 with the lanthanide shift reagent Eu(fod)3

N. K. Davidenko, V. A. Bidzilya, L. P. Golovkova, S. L. Davydova, K. B. Yatsimirskii

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 220 KB

english, 1977

19

NMR investigation of compounds containing asymmetric phosphorus and sulfur atoms using Eu(fod)3

E. V. Konovalov, T. Ya. Lavrenyuk, Yu. P. Egorov, S. N. Gaidamaka, A. M. Aleksandrov

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 254 KB

english, 1977

20

IR and1H NMR spectra, and structure of some N-acylpyridinium salts

V. I. Rybachenko, A. I. Kirichenko, D. P. Drizhd, A. Ya. Chervinskii, R. G. Semenova, E. V. Titov

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 404 KB

english, 1977

21

Use of synchronous recording of three parameters for studying oscillational chemical reactions

K. B. Yatsimirskii, L. P. Tikhonova, A. S. Kovalenko

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 469 KB

english, 1977

22

The applicability of thermoluminescence to the study of adsorption-type complexes on oxide catalysts

Z. F. Dmitrenko, V. V. Mikho, N. V. Vityuk

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 363 KB

english, 1977

23

Determination of the electron affinity of molecules with high electronegativity on their field polarization

B. G. Mischanchuk, V. A. Nazarenko

Journal:

Theoretical and Experimental Chemistry

Year:

1977

Language:

english

File:

PDF, 131 KB

english, 1977