Ab initio study of molecular geometry and the torsional potential in perfluoro (ethyl methyl ether)

1993 ◽  
Vol 97 (22) ◽  
pp. 5901-5904 ◽  
Author(s):  
C. L. Stanton ◽  
H. L. Paige ◽  
M. Schwartz
Keyword(s):  
Ab Initio ◽  
Methyl Ether ◽  
Molecular Geometry ◽  
Ab Initio Study ◽  
Torsional Potential ◽  
Ethyl Methyl

Geometric Structure and Torsional Potential of Biisothianaphthene. A Comparative DFT and ab Initio Study

1997 ◽  
Vol 119 (6) ◽  
pp. 1360-1369 ◽  
Author(s):  
Pedro M. Viruela ◽  
Rafael Viruela ◽  
Enrique Ortí ◽  
Jean-Luc Brédas
Keyword(s):  
Ab Initio ◽  
Geometric Structure ◽  
Ab Initio Study ◽  
Torsional Potential

An ab initio study of the dependence of molecular geometry on basis set

1979 ◽  
Vol 51 ◽  
pp. 307-309 ◽  
Author(s):  
C.W. Bock ◽  
P. George ◽  
M. Trachtman
Keyword(s):  
Ab Initio ◽  
Molecular Geometry ◽  
Basis Set ◽  
Ab Initio Study
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