Position of nucleophilic attack on propargylic .tautm. allenylic cations. An ab initio molecular orbital calculation

1978 ◽  
Vol 43 (4) ◽  
pp. 763-765 ◽  
Author(s):  
D. Mirejovsky ◽  
W. Drenth ◽  
F. B. Van Duijneveldt
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Calculation ◽  
Nucleophilic Attack

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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