Ab Initio Molecular Orbital Study of Substituent Effects in Vaska Type Complexes (trans-IrL2(CO)X): Electron Affinities, Ionization Potentials, Carbonyl Stretch Frequencies and the Thermodynamics of H2 Dissociative Addition

1994 ◽  
Vol 33 (22) ◽  
pp. 5122-5130 ◽  
Author(s):  
Faraj Abu-Hasanayn ◽  
Alan S. Goldman ◽  
Karsten Krogh-Jespersen
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Substituent Effects ◽  
Ionization Potentials ◽  
Electron Affinities ◽  
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

ChemInform Abstract: Geometries and Energies of Small Gen (n = 2-6) Clusters: An ab initio Molecular Orbital Study.

ChemInform ◽  
2010 ◽  
Vol 24 (48) ◽  
pp. no-no
Author(s):  
G. LANZA ◽  
S. MILLEFIORI ◽  
A. MILLEFIORI ◽  
M. DUPUIS
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study
Sign in / Sign up

Export Citation Format

Share Document