Ab initio MO studies of nuclear spin-spin coupling constants in CH4, SiH4, AlH 4 ? and GeH4 systems

1994 ◽  
Vol 89 (4) ◽  
pp. 261-272 ◽  
Author(s):  
Anil C. Nair ◽  
P. Chandra
Keyword(s):  
Ab Initio ◽  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Ab Initio Mo ◽  
Spin Spin Coupling

An ab initio study of the nuclear spin-spin coupling constants in the second-row hydrides

1980 ◽  
Vol 73 (3) ◽  
pp. 612-615 ◽  
Author(s):  
M.F. Guest ◽  
R.E. Overall
Keyword(s):  
Ab Initio ◽  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Ab Initio Study ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Ab initio calculations of through-space nuclear spin?spin coupling constants with theIPPP method

1986 ◽  
Vol 30 (S20) ◽  
pp. 603-612 ◽  
Author(s):  
Gustavo E. Scuseria ◽  
Rub�n H. Contreras
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Calculation of nuclear spin-spin coupling constants with ab initio molecular orbital wave functions

1993 ◽  
Vol 97 (45) ◽  
pp. 11657-11665 ◽  
Author(s):  
Arthur S. Edison ◽  
John L. Markley ◽  
Frank Weinhold
Keyword(s):  
Ab Initio ◽  
Molecular Orbital ◽  
Nuclear Spin ◽  
Wave Functions ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Restricted Conformational Flexibility of Furanose Derivatives:  Ab Initio Interpretation of Their Nuclear Spin−Spin Coupling Constants

2004 ◽  
Vol 108 (30) ◽  
pp. 6365-6372 ◽  
Author(s):  
Petr Bouř ◽  
Ivan Raich ◽  
Jakub Kaminský ◽  
Richard Hrabal ◽  
Jan Čejka ◽  
...  
Keyword(s):  
Ab Initio ◽  
Nuclear Spin ◽  
Conformational Flexibility ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling
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