Carbon-13 Chemical Shift Tensors for Acylium Ions:  A Combined Solid State NMR and Ab Initio Molecular Orbital Study

1997 ◽  
Vol 119 (2) ◽  
pp. 396-405 ◽  
Author(s):  
Teng Xu ◽  
Dewey H. Barich ◽  
Paul D. Torres ◽  
John B. Nicholas ◽  
James F. Haw
Keyword(s):  
Solid State ◽  
Chemical Shift ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Solid State Nmr ◽  
Chemical Shift Tensors ◽  
Molecular Orbital Study ◽  
Orbital Study

Phosphorus Chemical Shift Tensors for Tetramethyldiphosphine Disulfide:  A31P Single-Crystal NMR, Dipolar-Chemical Shift NMR, and Ab Initio Molecular Orbital Study

2000 ◽  
Vol 104 (19) ◽  
pp. 4598-4605 ◽  
Author(s):  
Myrlene Gee ◽  
Roderick E. Wasylishen ◽  
Klaus Eichele ◽  
James F. Britten
Keyword(s):  
Chemical Shift ◽  
Single Crystal ◽  
Ab Initio ◽  
Molecular Orbital ◽  
Chemical Shift Tensors ◽  
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

Structures and stabilities of C6H3⨥6 isomers: an ab initio molecular orbital study

1985 ◽  
Vol 113 (2) ◽  
pp. 145-150 ◽  
Author(s):  
Wolfram Koch ◽  
Helmut Schwarz
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Orbital Study

ab initio Molecular orbital study of disulphur dinitride, S2N2

1976 ◽  
pp. 701 ◽  
Author(s):  
M. P. S. Collins ◽  
B. J. Duke
Keyword(s):  
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

An ab initio molecular orbital study of the SN2 reaction of H− with HF

1975 ◽  
Vol 30 (2) ◽  
pp. 293-295 ◽  
Author(s):  
Paul Baybutt
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Molecular Orbital Study ◽  
Sn2 Reaction ◽  
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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