Conformational analysis of 5-hydroxytryptamine and its cation: ?, ?-energy contour diagram by the INDO molecular orbital method

1971 ◽  
Vol 22 (2) ◽  
pp. 176-183 ◽  
Author(s):  
Sungzong Kang ◽  
Moon-Hae Cho
Keyword(s):  
Conformational Analysis ◽  
Molecular Orbital ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Contour Diagram ◽  
Energy Contour

Simulations of Chemical Reactions with the Frozen Domain Formulation of the Fragment Molecular Orbital Method

2015 ◽  
Vol 11 (7) ◽  
pp. 3053-3064 ◽  
Author(s):  
Hiroya Nakata ◽  
Dmitri G. Fedorov ◽  
Takeshi Nagata ◽  
Kazuo Kitaura ◽  
Shinichiro Nakamura
Keyword(s):  
Molecular Orbital ◽  
Chemical Reactions ◽  
Orbital Method ◽  
Molecular Orbital Method ◽  
Fragment Molecular Orbital
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