scholarly journals Ab Initio Molecular Orbital Calculation on a Condensed-Substance Model System for the Water Sorption Phenomenon of Polymers: Poly(vinyl fluoride) Model.

1997 ◽  
Vol 54 (3) ◽  
pp. 156-162 ◽  
Author(s):  
Hiroshi KUSANAGI
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Water Sorption ◽  
Molecular Orbital Calculation ◽  
Model System ◽  
Condensed Substance ◽  
Vinyl Fluoride ◽  
Sorption Phenomenon

Structure of Hydrogen-Bonded Clusters of 7-Azaindole Studied by IR Dip Spectroscopy and ab Initio Molecular Orbital Calculation

2001 ◽  
Vol 105 (41) ◽  
pp. 9366-9374 ◽  
Author(s):  
Hiroshi Yokoyama ◽  
Hidekazu Watanabe ◽  
Takuichiro Omi ◽  
Shun-ichi Ishiuchi ◽  
Masaaki Fujii
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Calculation ◽  
Hydrogen Bonded

Study on Bi-bridge Reaction Mechanism by Ab initio Molecular Orbital Calculation

1994 ◽  
Vol 10 (02) ◽  
pp. 154-158
Author(s):  
Liu Yue ◽  
◽  
Zhao Cheng-Da ◽  
Huang Jing-An
Keyword(s):  
Reaction Mechanism ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Calculation
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