Electronic Spectrum of Anthracene: An ab-Initio Molecular Orbital Calculation Combined with a Valence Bond Interpretation

1995 ◽  
Vol 99 (45) ◽  
pp. 16558-16565 ◽  
Author(s):  
Schmuel Zilberg ◽  
Yehuda Haas ◽  
Sason Shaik
Keyword(s):  
Ab Initio ◽  
Electronic Spectrum ◽  
Molecular Orbital ◽  
Valence Bond ◽  
Molecular Orbital Calculation

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
Sign in / Sign up

Export Citation Format

Share Document