Conformational analysis of some trans-2-decalone systems by combined molecular mechanics and ab initio calculations

1977 ◽  
Vol 99 (16) ◽  
pp. 5246-5248 ◽  
Author(s):  
M. Askari ◽  
N. S. Ostlund ◽  
Lothar Schaefer
Keyword(s):  
Conformational Analysis ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Molecular Mechanics

Conformational analysis from low-frequency vibrational data and ab initio calculations for 3-chloropropene

1989 ◽  
Vol 194 ◽  
pp. 259-278 ◽  
Author(s):  
J.R. Durig ◽  
D.T. Durig ◽  
M.R. Jalilian ◽  
Mengzhang Zhen ◽  
T.S. Little
Keyword(s):  
Conformational Analysis ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Low Frequency

Molecular Mechanics and ab Initio Conformational Analysis of 12-Membered and 14-Membered Tetrathia-Crown Ethers

2001 ◽  
Vol 105 (50) ◽  
pp. 11266-11275 ◽  
Author(s):  
Patrick Bultinck ◽  
Annelies Huyghebaert ◽  
Christian Van Alsenoy ◽  
Andre Goeminne
Keyword(s):  
Conformational Analysis ◽  
Ab Initio ◽  
Molecular Mechanics ◽  
Crown Ethers
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