Approximate self-consistent molecular orbital theory of nuclear spin coupling. II. Fermi contact contributions to coupling between carbon and directly bonded atoms

1970 ◽  
Vol 92 (1) ◽  
pp. 11-18 ◽  
Author(s):  
G. E. Maciel ◽  
J. W. McIver ◽  
N. S. Ostlund ◽  
J. A. Pople
Keyword(s):  
Molecular Orbital ◽  
Nuclear Spin ◽  
Spin Coupling ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Self Consistent ◽  
Fermi Contact

Approximate self-consistent molecular orbital theory of nuclear spin coupling. III. Geminal proton-proton coupling constants

1970 ◽  
Vol 92 (14) ◽  
pp. 4151-4157 ◽  
Author(s):  
Gary E. Maciel ◽  
J. W. McIver ◽  
N. S. Ostlund ◽  
J. A. Pople
Keyword(s):  
Molecular Orbital ◽  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Proton Proton ◽  
Proton Coupling ◽  
Geminal Proton ◽  
Self Consistent

Approximate self-consistent molecular orbital theory of nuclear spin coupling. I. Directly bonded carbon-hydrogen coupling constants

1970 ◽  
Vol 92 (1) ◽  
pp. 1-11 ◽  
Author(s):  
G. E. Maciel ◽  
J. W. McIver ◽  
N. S. Ostlund ◽  
J. A. Pople
Keyword(s):  
Molecular Orbital ◽  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Self Consistent

Molecular orbital theory of nuclear spin coupling constants

1964 ◽  
Vol 8 (1) ◽  
pp. 1-18 ◽  
Author(s):  
J.A. Pople ◽  
D.P. Santry
Keyword(s):  
Molecular Orbital ◽  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Spin Coupling Constants

A test of the bay-region mechanism in carcinogenesis for monomethyl benz[a]anthracenes in a self-consistent-field molecular orbital theory

1986 ◽  
Vol 175 (1) ◽  
pp. 1-4 ◽  
Author(s):  
Rabi Majumdar ◽  
Ashoke R. Thakur ◽  
Satish C. Mathur ◽  
Keya Roy ◽  
Ramadhar Singh
Keyword(s):  
Molecular Orbital ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Consistent Field ◽  
Self Consistent ◽  
Self Consistent Field
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