Excited electronic states of the methyl radical. Ab initio molecular orbital study of geometries, excitation energies and vibronic spectra

1997 ◽  
Vol 215 (3) ◽  
pp. 329-341 ◽  
Author(s):  
Alexander M. Mebel ◽  
Sheng-Hsien Lin
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Electronic States ◽  
Methyl Radical ◽  
Excited Electronic States ◽  
Excitation Energies ◽  
Molecular Orbital Study ◽  
Vibronic Spectra ◽  
Orbital Study

Ab initio molecular orbital study of ground and low-lying electronic states of NiCN

2008 ◽  
Vol 346 (1-3) ◽  
pp. 13-22 ◽  
Author(s):  
Tsuneo Hirano ◽  
Rei Okuda ◽  
Umpei Nagashima ◽  
Kiyoshi Tanaka ◽  
Per Jensen
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Electronic States ◽  
Molecular Orbital Study ◽  
Orbital Study

Ab initio molecular orbital study of ground and low-lying electronic states of CoCN

2007 ◽  
Vol 127 (1) ◽  
pp. 014303 ◽  
Author(s):  
Tsuneo Hirano ◽  
Rei Okuda ◽  
Umpei Nagashima ◽  
Per Jensen
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Electronic States ◽  
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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