Conformational analysis of the core unit of crownophanes by ab initio calculations: 1,1-dibenzylethylene and related compounds

2000 ◽  
pp. 2448-2452 ◽  
Author(s):  
Seiji Tsuzuki ◽  
Hirohiko Houjou ◽  
Yoshinobu Nagawa ◽  
Kazuhisa Hiratani
Keyword(s):  
Conformational Analysis ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
The Core ◽  
Related Compounds

Structural and conformational analysis of N-chloro-N-ethylethanamine by gas electron diffraction, ab initio calculations and vibrational spectroscopy

1993 ◽  
Vol 291 (1) ◽  
pp. 11-22 ◽  
Author(s):  
Nobuhiko Kuze ◽  
Hiroshi Takeuchi ◽  
Toru Egawa ◽  
Shigehiro Konaka ◽  
Susan Q. Newton ◽  
...  
Keyword(s):  
Electron Diffraction ◽  
Conformational Analysis ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibrational Spectroscopy ◽  
Gas Electron Diffraction

Conformational analysis by combined ab initio and molecular mechanics procedures: ab initio calculations of some ditertiarybutyl-cyclohexanes

1976 ◽  
Vol 17 (39) ◽  
pp. 3497-3498 ◽  
Author(s):  
M. Askari ◽  
D.L. Merrifield ◽  
Lothar Schäfer
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

Conformational analysis of dichloromethyl formate by the combined use of infrared and matrix-infrared spectroscopy and ab initio calculations

2003 ◽  
Vol 5 (18) ◽  
pp. 3864-3868
Author(s):  
Martti Dahlqvist ◽  
Matti Hotokka ◽  
Markku Räsänen
Keyword(s):  
Infrared Spectroscopy ◽  
Conformational Analysis ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Combined Use
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