Ab initio molecular orbital calculation of the interatomic potential and force constants in silicon oxynitride glass

1988 ◽  
Vol 101 (2-3) ◽  
pp. 271-279 ◽  
Author(s):  
Morio Murakami ◽  
Sumio Sakka
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Interatomic Potential ◽  
Molecular Orbital Calculation ◽  
Force Constants ◽  
Silicon Oxynitride ◽  
Oxynitride Glass

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
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