Trends in the Torsional Potentials of Methoxy and Trifluoromethoxy Groups:  An ab Initio and Density Functional Study on the Structure of para-Substituted Pyridines and Pyridinium Cations

2003 ◽  
Vol 107 (13) ◽  
pp. 2362-2368 ◽  
Author(s):  
Johanna Klocker ◽  
Alfred Karpfen ◽  
Peter Wolschann
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study ◽  
Substituted Pyridines ◽  
Pyridinium Cations ◽  
Torsional Potentials

Ab-initio density functional study of defect-free and defective CdO

2005 ◽  
Vol 2 (10) ◽  
pp. 3548-3551 ◽  
Author(s):  
R. Ferro ◽  
J. A. Rodríguez ◽  
M. Verstraete ◽  
V. Solomko ◽  
P. Bertrand
Keyword(s):  
Ab Initio ◽  
Density Functional ◽  
Functional Study ◽  
Density Functional Study
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