Programs for calculating the electron structures and spectra of molecules by the semiempirical CNDO method with allowance for configurational interactions

V. P. Zhukov; V. A. Gubanov

doi:10.1007/bf00747162

Programs for calculating the electron structures and spectra of molecules by the semiempirical CNDO method with allowance for configurational interactions

Journal of Structural Chemistry ◽

10.1007/bf00747162 ◽

1975 ◽

Vol 16 (2) ◽

pp. 313-314

Author(s):

V. P. Zhukov ◽

V. A. Gubanov

Keyword(s):

Cndo Method ◽

Semiempirical Cndo Method

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Investigation of the electronic structure and absorption spectra of tetracyanquinodimethane by the semiempirical CNDO method

Journal of Structural Chemistry ◽

10.1007/bf00755436 ◽

1976 ◽

Vol 17 (2) ◽

pp. 177-182

Author(s):

A. S. Kanev ◽

V. I. Baranovskii

Keyword(s):

Electronic Structure ◽

Absorption Spectra ◽

Cndo Method ◽

Semiempirical Cndo Method

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Program for calculating the electronic structure of molecules by the semiempirical CNDO method

Journal of Structural Chemistry ◽

10.1007/bf00745446 ◽

1977 ◽

Vol 18 (1) ◽

pp. 167-167

Author(s):

V. �. L'vovskii ◽

G. B. Erusalimskii

Keyword(s):

Electronic Structure ◽

Cndo Method ◽

Structure Of Molecules ◽

Semiempirical Cndo Method

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Quantum-chemical calculations on fluoroolefins by the semiempirical CNDO method

Journal of Structural Chemistry ◽

10.1007/bf00747159 ◽

1975 ◽

Vol 16 (2) ◽

pp. 306-308

Author(s):

V. P. Zhukov ◽

V. A. Gubanov

Keyword(s):

Quantum Chemical Calculations ◽

Quantum Chemical ◽

Cndo Method ◽

Semiempirical Cndo Method

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The Calculations of Dipole Polarizabilities and Anisotropies by the CNDO Method: The Effect of an Extended-basis Set

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.48.3431 ◽

1975 ◽

Vol 48 (12) ◽

pp. 3431-3435 ◽

Cited By ~ 28

Author(s):

Hiroyuki Shinoda ◽

Tatsuo Akutagawa

Keyword(s):

Basis Set ◽

Cndo Method ◽

Extended Basis ◽

Dipole Polarizabilities

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Quantum chemical studies on the conformational structure of nucleic acids IV. calculation of backbone structure by CNDO method

Journal of Theoretical Biology ◽

10.1016/0022-5193(74)90149-0 ◽

1974 ◽

Vol 46 (1) ◽

pp. 229-239 ◽

Cited By ~ 26

Author(s):

Ravindra Tewari ◽

Rabindra K. Nanda ◽

Girjesh Govil

Keyword(s):

Nucleic Acids ◽

Quantum Chemical ◽

Conformational Structure ◽

Cndo Method ◽

Chemical Studies ◽

Quantum Chemical Studies ◽

Backbone Structure

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Use of the CNDO Method in Spectroscopy. IV. Small Molecules: Spectra and Ground‐State Properties

The Journal of Chemical Physics ◽

10.1063/1.1671166 ◽

1969 ◽

Vol 50 (3) ◽

pp. 1126-1129 ◽

Cited By ~ 162

Author(s):

Janet Del Bene ◽

H. H. Jaffé

Keyword(s):

Small Molecules ◽

Ground State ◽

Cndo Method ◽

Ground State Properties

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The Calculation of Dipole Polarizability and Anisotropy by the CNDO Method

Bulletin of the Chemical Society of Japan ◽

10.1246/bcsj.46.1216 ◽

1973 ◽

Vol 46 (4) ◽

pp. 1216-1219 ◽

Cited By ~ 10

Author(s):

Tomoo Miyazaki ◽

Hiroyuki Shinoda

Keyword(s):

Dipole Polarizability ◽

Cndo Method

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Calculations with the CNDO method on clusters of silver atoms

Molecular Physics ◽

10.1080/00268977800101261 ◽

1978 ◽

Vol 35 (6) ◽

pp. 1681-1695 ◽

Cited By ~ 12

Author(s):

J.D. Head ◽

K.A.R. Mitchell

Keyword(s):

Cndo Method ◽

Silver Atoms

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Application of the partitioning of electronic energy in the CNDO method to heteronuclear bonds. I. Singly, doubly, and triply bonded carbon-nitrogen

The Journal of Physical Chemistry ◽

10.1021/j100573a021 ◽

1975 ◽

Vol 79 (6) ◽

pp. 654-660 ◽

Cited By ~ 16

Author(s):

J. B. Moffat ◽

K. F. Tang

Keyword(s):

Electronic Energy ◽

Cndo Method

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ChemInform Abstract: THE CALCULATIONS OF DIPOLE POLARIZABILITIES AND ANISOTROPIES BY THE CNDO METHOD- THE EFFECT OF AN EXTENDED-BASIS SET

Chemischer Informationsdienst ◽

10.1002/chin.197611052 ◽

1976 ◽

Vol 7 (11) ◽

pp. no-no

Author(s):

HIROYUKI SHINODA ◽

TATSUO AKUTAGAWA

Keyword(s):

Basis Set ◽

Cndo Method ◽

Extended Basis ◽

Dipole Polarizabilities

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