Calculation of chemical shifts of inner-shell electrons for the DNA bases by the CNDO [complete neglect of differential overlap]/2 method including the charge redistribution effect

1972 ◽  
Vol 94 (18) ◽  
pp. 6287-6293 ◽  
Author(s):  
Akira Imamura ◽  
Hiroko Fujita ◽  
Chikayoshi Nagata
Keyword(s):  
Chemical Shifts ◽  
Dna Bases ◽  
Charge Redistribution ◽  
Complete Neglect ◽  
Neglect Of Differential Overlap ◽  
Redistribution Effect

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

scholarly journals Enhanced electrical model of Lithium-based batteries accounting the charge redistribution effect

2014 ◽  
Author(s):  
Maryam Bahramipanah ◽  
Dimitri Torregrossa ◽  
Rachid Cherkaoui ◽  
Mario Paolone
Keyword(s):  
Electrical Model ◽  
Charge Redistribution ◽  
Redistribution Effect

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 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
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