A New Class of Carborane Compounds for Second-Order Nonlinear Optics:  Ab Initio Molecular Orbital Study of Hyperpolarizabilities for 1-(1‘,X‘-Dicarba-closo-dodecaborane-1‘-yl)-closo-dodecaborate Dianion (X= 2, 7, 12)

1998 ◽  
Vol 37 (2) ◽  
pp. 172-173 ◽  
Author(s):  
Jiro Abe ◽  
Nobukatsu Nemoto ◽  
Yu Nagase ◽  
Yasuo Shirai ◽  
Tomokazu Iyoda
Keyword(s):  
Nonlinear Optics ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Second Order ◽  
New Class ◽  
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
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