CNDO-CI [complete neglect of differential overlap-configuration interaction] studies of the effects of multiple substitution on the electronic spectrum of p-benzoquinone

Philip E. Stevenson

doi:10.1021/j100661a014

CNDO-CI [complete neglect of differential overlap-configuration interaction] studies of the effects of multiple substitution on the electronic spectrum of p-benzoquinone

The Journal of Physical Chemistry ◽

10.1021/j100661a014 ◽

1972 ◽

Vol 76 (17) ◽

pp. 2424-2429 ◽

Cited By ~ 25

Author(s):

Philip E. Stevenson

Keyword(s):

Electronic Spectrum ◽

Configuration Interaction ◽

Interaction Studies ◽

Complete Neglect ◽

Neglect Of Differential Overlap ◽

Multiple Substitution

Calculation of the benzene molecule with configuration interaction, spin-orbit interaction, and complete neglect of differential overlap

Soviet Physics Journal ◽

10.1007/bf00820079 ◽

1971 ◽

Vol 14 (8) ◽

pp. 1116-1119 ◽

Cited By ~ 1

Author(s):

B. F. Minaev

Keyword(s):

Configuration Interaction ◽

Benzene Molecule ◽

Orbit Interaction ◽

Spin Orbit ◽

Spin Orbit Interaction ◽

Complete Neglect ◽

Neglect Of Differential Overlap

The electronic spectrum and photodissociation of dinitrogen tetroxide (N2O4): Multireference configuration interaction studies

The Journal of Chemical Physics ◽

10.1063/1.3498899 ◽

2010 ◽

Vol 133 (14) ◽

pp. 144311 ◽

Cited By ~ 1

Author(s):

Friedrich Grein

Keyword(s):

Electronic Spectrum ◽

Configuration Interaction ◽

Dinitrogen Tetroxide ◽

Interaction Studies

Calculation of the electronic spectrum within the CNDO/S (complete neglect of differential overlap/S) approximation and character of the long-wave absorption band of 2-N-pyridinia-1,3-indandione betaine

Chemistry of Heterocyclic Compounds ◽

10.1007/bf00505695 ◽

1981 ◽

Vol 17 (5) ◽

pp. 483-486

Author(s):

V. �. Kampar ◽

Z. P. Bruvers ◽

O. Ya. Neiland

Keyword(s):

Absorption Band ◽

Electronic Spectrum ◽

Wave Absorption ◽

Long Wave ◽

Complete Neglect ◽

Neglect Of Differential Overlap

A study of coplanar methylene dimerization by complete neglect of differential overlap with configuration interaction

Soviet Physics Journal ◽

10.1007/bf00891068 ◽

1974 ◽

Vol 17 (7) ◽

pp. 963-966

Author(s):

V. S. Cherkasov ◽

A. F. Terpugova

Keyword(s):

Configuration Interaction ◽

Complete Neglect ◽

Neglect Of Differential Overlap

CNDO [complete neglect of differential overlap]/2 study of NH...O hydrogen bonds in ions, zwitterions, and neutral molecules

The Journal of Physical Chemistry ◽

10.1021/j100603a006 ◽

1974 ◽

Vol 78 (10) ◽

pp. 970-980 ◽

Cited By ~ 4

Author(s):

R. D. Singh ◽

D. R. Ferro

Keyword(s):

Hydrogen Bonds ◽

Complete Neglect ◽

Neglect Of Differential Overlap

Configuration interaction studies on the spectroscopic properties of PbO including spin–orbit coupling

Chinese Physics B ◽

10.1088/1674-1056/25/7/073101 ◽

2016 ◽

Vol 25 (7) ◽

pp. 073101 ◽

Cited By ~ 1

Author(s):

Wang Luo ◽

Rui Li ◽

Zhiqiang Gai ◽

RuiBo Ai ◽

Hongmin Zhang ◽

...

Keyword(s):

Configuration Interaction ◽

Spectroscopic Properties ◽

Orbit Coupling ◽

Spin Orbit Coupling ◽

Spin Orbit ◽

Interaction Studies

Spin-extended and configuration-interaction studies of first-row atoms

International Journal of Quantum Chemistry ◽

10.1002/qua.560020703 ◽

2009 ◽

Vol 2 (S2) ◽

pp. 13-20 ◽

Cited By ~ 4

Author(s):

Uzi Kaldor ◽

Henry F. Schaefer ◽

Frank E. Harris

Keyword(s):

Configuration Interaction ◽

Interaction Studies

Mindo/3 configuration interaction studies of α-cleavage processes in organic photochemistry

Journal of Photochemistry and Photobiology A Chemistry ◽

10.1016/1010-6030(90)80001-e ◽

1990 ◽

Vol 52 (2) ◽

pp. 213-234 ◽

Cited By ~ 6

Author(s):

A.K. Chandra ◽

R. Sumathi

Keyword(s):

Configuration Interaction ◽

Interaction Studies ◽

Organic Photochemistry

Multireference coupled cluster and multireference configuration interaction studies of the potential surfaces for deprotonation of NH+4

The Journal of Chemical Physics ◽

10.1063/1.456305 ◽

1989 ◽

Vol 90 (11) ◽

pp. 6395-6400 ◽

Cited By ~ 20

Author(s):

Uzi Kaldor ◽

Szczepan Roszak ◽

P. C. Hariharan ◽

Joyce J. Kaufman

Keyword(s):

Configuration Interaction ◽

Coupled Cluster ◽

Potential Surfaces ◽

Interaction Studies

Low‐lying valence and Rydberg states of nitric oxide NO. Configuration interaction studies

The Journal of Chemical Physics ◽

10.1063/1.443622 ◽

1982 ◽

Vol 77 (1) ◽

pp. 415-423 ◽

Cited By ~ 21

Author(s):

Friedrich Grein ◽

Anil Kapur

Keyword(s):

Nitric Oxide ◽

Configuration Interaction ◽

Rydberg States ◽

Interaction Studies