scholarly journals Structural Analysis of Species in NbCI5-EMIC Room-Temperature Molten Salt with Raman Spectroscopic Measurement and Ab Initio Molecular Orbital Calculation

2002 ◽  
Vol 5 (4) ◽  
pp. 183-188 ◽  
Author(s):  
Nobuyuki Koura ◽  
Hidenori Matsuzawa ◽  
Tomoki Kato ◽  
Yasushi Idemoto ◽  
Futoshi Matsumoto
Keyword(s):  
Structural Analysis ◽  
Ab Initio ◽  
Molten Salt ◽  
Molecular Orbital ◽  
Room Temperature ◽  
Molecular Orbital Calculation ◽  
Spectroscopic Measurement ◽  
Raman Spectroscopic

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

scholarly journals An Approach to the ab initio Molecular Orbital Calculation of the Stabilizing Energy on Polymer Double-Stranded Helix

1997 ◽  
Vol 29 (1) ◽  
pp. 65-68 ◽  
Author(s):  
Hiroshi Kusanagi ◽  
Yozo Chatani ◽  
Hiroyuki Tadokoro
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Calculation

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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