Energy parameters in polypeptides. IV. Semiempirical molecular orbital calculations of conformational dependence of energy and partial charge in di- and tripeptides

1971 ◽  
Vol 75 (15) ◽  
pp. 2286-2297 ◽  
Author(s):  
H. A. Scheraga ◽  
F. A. Momany ◽  
R. F. McGuire ◽  
J. F. Yan
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Calculations ◽  
Partial Charge ◽  
Energy Parameters ◽  
Semiempirical Molecular Orbital

Conformational analysis of aminovinylpyrazine by semiempirical molecular orbital calculations

1997 ◽  
Vol 33 (1) ◽  
pp. 33-39 ◽  
Author(s):  
Hisayoshi Shiozaki ◽  
Atsushi Oshida ◽  
Dongfeng Hou ◽  
Masaru Matsuoka
Keyword(s):  
Conformational Analysis ◽  
Molecular Orbital ◽  
Molecular Orbital Calculations ◽  
Semiempirical Molecular Orbital
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