Rotational Barrier for 1,1-Difluoroethane, 1,1,1,2-Tetrafluoroethane, Pentafluoroethane, and Hexafluoroethane: A Density Functional and ab Initio Molecular Orbital Study

1998 ◽  
Vol 102 (3) ◽  
pp. 654-658 ◽  
Author(s):  
Rubén D. Parra ◽  
X. C. Zeng
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Density Functional ◽  
Rotational Barrier ◽  
Molecular Orbital Study ◽  
Orbital Study

Rotational barrier of the allylcopper complex. An ab initio molecular-orbital study

1985 ◽  
Vol 114 (5-6) ◽  
pp. 516-519 ◽  
Author(s):  
M. Merchan ◽  
R. Gonzalez-Luque ◽  
I. Nebot-Gil ◽  
F. Tomas
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Rotational Barrier ◽  
Molecular Orbital Study ◽  
Orbital Study

Ab initio molecular orbital study of the gallium arsenide hydrides

1991 ◽  
Vol 95 (20) ◽  
pp. 7668-7673 ◽  
Author(s):  
Charles W. Bock ◽  
Kerwin D. Dobbs ◽  
Gilbert J. Mains ◽  
Mendel Trachtman
Keyword(s):  
Gallium Arsenide ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study

Ab Initio Molecular Orbital Study of Organometallic Complexes Containing Benzo[b]thiophene

1998 ◽  
Vol 17 (17) ◽  
pp. 3798-3808 ◽  
Author(s):  
Michael S. Palmer ◽  
Stuart Rowe ◽  
Suzanne Harris
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Organometallic Complexes ◽  
Molecular Orbital Study ◽  
Orbital Study
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