Valence-shell calculations on polyatomic molecules. I. Complete neglect of differential overlap self consistent field calculations on nitrogen and oxygen heterocyclics

1967 ◽  
Vol 89 (26) ◽  
pp. 6835-6841 ◽  
Author(s):  
John E. Bloor ◽  
Donna L. Breen
Keyword(s):  
Polyatomic Molecules ◽  
Valence Shell ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Complete Neglect ◽  
Neglect Of Differential Overlap

ChemInform Abstract: ELECTRONIC SYMMETRY BREAKING IN POLYATOMIC MOLECULES. MULTICONFIGURATION SELF-CONSISTENT FIELD STUDY OF THE CYCLOPROPENYL RADICAL C3H3

1984 ◽  
Vol 15 (15) ◽  
Author(s):  
M. R. HOFFMANN ◽  
W. D. LAIDIG ◽  
K. S. KIM ◽  
D. J. FOX ◽  
H. F. III SCHAEFER
Keyword(s):  
Symmetry Breaking ◽  
Field Study ◽  
Polyatomic Molecules ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

scholarly journals Electronic symmetry breaking in polyatomic molecules. Multiconfiguration self‐consistent field study of the cyclopropenyl radical C3H3

1984 ◽  
Vol 80 (1) ◽  
pp. 338-343 ◽  
Author(s):  
Mark R. Hoffmann ◽  
William D. Laidig ◽  
Kwang S. Kim ◽  
Douglas J. Fox ◽  
Henry F. Schaefer
Keyword(s):  
Symmetry Breaking ◽  
Field Study ◽  
Polyatomic Molecules ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Numerical self-consistent field method for polyatomic molecules

2001 ◽  
Vol 99 (4) ◽  
pp. 327-334 ◽  
Author(s):  
DIRK ANDRAE
Keyword(s):  
Field Method ◽  
Polyatomic Molecules ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field

Localized bonds in self-consistent-field wave functions for polyatomic molecules. II. Boron hydrides

1970 ◽  
Vol 92 (13) ◽  
pp. 3847-3853 ◽  
Author(s):  
Eugene. Switkes ◽  
William N. Lipscomb ◽  
Marshall D. Newton
Keyword(s):  
Polyatomic Molecules ◽  
Wave Functions ◽  
Boron Hydrides ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field ◽  
Field Wave
Sign in / Sign up

Export Citation Format

Share Document