Allene oxide-cyclopropanone isomerization. Low barrier pathway on the CNDO [complete neglect of differential overlap]/2 energy surface

1974 ◽  
Vol 96 (10) ◽  
pp. 3317-3319 ◽  
Author(s):  
Melvin E. Zandler ◽  
Charles E. Choc ◽  
Carolyn K. Johnson
Keyword(s):  
Energy Surface ◽  
Allene Oxide ◽  
Complete Neglect ◽  
Neglect Of Differential Overlap

CNDO [complete neglect of differential overlap]/2 calculation on the helical conformations of a tetrapeptide of glycine. III. phi-psi. Energy surface

1972 ◽  
Vol 76 (5) ◽  
pp. 670-672 ◽  
Author(s):  
Robert Schor ◽  
Hans Stymne ◽  
Gunnar Wettermark ◽  
Carl W. David
Keyword(s):  
Energy Surface ◽  
Complete Neglect ◽  
Neglect Of Differential Overlap

CNDO [complete neglect of differential overlap]/2 calculation on the helical conformations of a tetrapeptide of poly-L-alanine. V. .phi.-.psi. Energy surface

1973 ◽  
Vol 77 (25) ◽  
pp. 3033-3035 ◽  
Author(s):  
Hans Stymme ◽  
Gunnar Wettermark ◽  
Robert Schor ◽  
Carl W. David
Keyword(s):  
Energy Surface ◽  
Complete Neglect ◽  
Neglect Of Differential Overlap

CNDO/2 (complete neglect of differential overlap)-method for third-row molecules

1973 ◽  
Vol 31 (3) ◽  
pp. 215-220 ◽  
Author(s):  
H. L. Hase ◽  
A. Schweig
Keyword(s):  
Complete Neglect ◽  
Overlap Method ◽  
Neglect Of Differential Overlap

CNDO [complete neglect of differential overlap]/2 studies on ion solvation

1973 ◽  
Vol 77 (24) ◽  
pp. 2888-2896 ◽  
Author(s):  
Abha Gupta ◽  
C. N. R. Rao
Keyword(s):  
Ion Solvation ◽  
Complete Neglect ◽  
Neglect Of Differential Overlap

Complete neglect of differential overlap calculations on second-row molecules

1968 ◽  
Vol 90 (13) ◽  
pp. 3309-3313 ◽  
Author(s):  
D. P. Santry
Keyword(s):  
Complete Neglect ◽  
Neglect Of Differential Overlap
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