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Compatibility of the Methods of Calculation and Semiempirical Parameters in the Theory of Molecules with Conjugated Bonds

Igor' Afanas'evich Misurkin 1
Igor' Afanas'evich Misurkin
, 
Aleksandr Anatolevich Ovchinnikov 1
Aleksandr Anatolevich Ovchinnikov
1 Karpov Institute of Physical Chemistry, Moscow
10.1070/RC1975v044n03ABEH002259
Published 30 November 1974
Communication , Volume 44, Issue 3, 185-195
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Misurkin I. A., Ovchinnikov A. A. Compatibility of the Methods of Calculation and Semiempirical Parameters in the Theory of Molecules with Conjugated Bonds // Russian Chemical Reviews. 1975. Vol. 44. No. 3. pp. 185-195.
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Misurkin I. A., Ovchinnikov A. A. Compatibility of the Methods of Calculation and Semiempirical Parameters in the Theory of Molecules with Conjugated Bonds // Russian Chemical Reviews. 1975. Vol. 44. No. 3. pp. 185-195.
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TY - JOUR
DO - 10.1070/RC1975v044n03ABEH002259
UR - https://rcr.colab.ws/publications/10.1070/RC1975v044n03ABEH002259
TI - Compatibility of the Methods of Calculation and Semiempirical Parameters in the Theory of Molecules with Conjugated Bonds
T2 - Russian Chemical Reviews
AU - Misurkin, Igor' Afanas'evich
AU - Ovchinnikov, Aleksandr Anatolevich
PY - 1975
DA - 1974/11/30
PB - ANO Editorial Board of the journal Uspekhi Khimii
SP - 185-195
IS - 3
VL - 44
ER -
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@article{1975_Misurkin,
author = {Igor' Afanas'evich Misurkin and Aleksandr Anatolevich Ovchinnikov},
title = {Compatibility of the Methods of Calculation and Semiempirical Parameters in the Theory of Molecules with Conjugated Bonds},
journal = {Russian Chemical Reviews},
year = {1975},
volume = {44},
publisher = {ANO Editorial Board of the journal Uspekhi Khimii},
month = {Nov},
url = {https://rcr.colab.ws/publications/10.1070/RC1975v044n03ABEH002259},
number = {3},
pages = {185--195},
doi = {10.1070/RC1975v044n03ABEH002259}
}
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Misurkin, Igor' Afanas'evich, and Aleksandr Anatolevich Ovchinnikov. “Compatibility of the Methods of Calculation and Semiempirical Parameters in the Theory of Molecules with Conjugated Bonds.” Russian Chemical Reviews, vol. 44, no. 3, Nov. 1975, pp. 185-195. https://rcr.colab.ws/publications/10.1070/RC1975v044n03ABEH002259.
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Abstract

Various methods for the selection of the parameters of the model π-electron Hamiltonian are discussed, certain aspects of the interaction of π electrons with the σ skeleton are considered, and the scope of various methods for the calculation of the electronic structures of molecules and radicals with conjugated bonds are analysed.
The bibliography includes 90 references.