Valence bond calculation of nuclear spin-spin coupling constants. 2. Coupled valence bond perturbation theory

1979 ◽  
Vol 83 (11) ◽  
pp. 1470-1472 ◽  
Author(s):  
Bernard. Kirtman ◽  
Kathryn Barr. Kirtley
Keyword(s):  
Perturbation Theory ◽  
Nuclear Spin ◽  
Valence Bond ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Carbon-13, proton spin–spin coupling constants in some 4-substituted isothiazoles and related heterocyclics

1977 ◽  
Vol 55 (4) ◽  
pp. 619-624 ◽  
Author(s):  
Roderick E. Wasylishen ◽  
Harold M. Hutton
Keyword(s):  
Perturbation Theory ◽  
Nuclear Spin ◽  
Proton Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Molecular Orbital Theory ◽  
Orbital Theory ◽  
Spin Coupling Constants ◽  
Semi Empirical ◽  
Spin Spin Coupling

Carbon-13, proton nuclear spin–spin coupling constants have been measured for a number of 4-substituted isothiazoles. The observed values are compared with those measured in other heterocyclic systems and those calculated in the parent and related heterocyclics using finite perturbation theory and semi-empirical molecular orbital theory at the CNDO/2 and INDO levels of approximation.

Valence bond calculation of nuclear spin–spin coupling constants. I. The distinguishable electron method

1976 ◽  
Vol 65 (4) ◽  
pp. 1357-1367 ◽  
Author(s):  
Bernard Kirtman ◽  
Kathryn Barr Kirtley ◽  
David A. Hasman
Keyword(s):  
Nuclear Spin ◽  
Valence Bond ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

Vibrational and thermal averaging of the indirect nuclear spin-spin coupling constants of CH4, SiH4, GeH4 and SnH4

1997 ◽  
Vol 91 (5) ◽  
pp. 897-907 ◽  
Author(s):  
SHEELA KIRPEKAR ◽  
THOMAS ENEVOLDSEN ◽  
JENS ODDERSHEDE ◽  
WILLIAM RAYNES
Keyword(s):  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

High‐Level Electron Correlation of the Indirect Nuclear Spin‐Spin Coupling Constants in Some Small Diboranes and Lithium‐Doped Diboranes

2021 ◽  
Vol 6 (22) ◽  
pp. 5451-5465
Author(s):  
Antonio P. Santos Neto ◽  
Roberto Rivelino ◽  
Gabriel I. Pagola ◽  
Patricio F. Provasi
Keyword(s):  
Electron Correlation ◽  
Nuclear Spin ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Spin Coupling Constants ◽  
High Level ◽  
Spin Spin Coupling

Geminal tin-tin indirect nuclear spin-spin coupling constants in some trimethyl tin group IV and group V compounds

1981 ◽  
Vol 44 (1) ◽  
pp. 54-61 ◽  
Author(s):  
W Biffar ◽  
T Gasparis-ebeling ◽  
H Nöth ◽  
W Storch ◽  
B Wrackmeyer
Keyword(s):  
Nuclear Spin ◽  
Group Iv ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Group V ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling

scholarly journals Proximity Effects on Nuclear Spin-Spin Coupling Constants. 1. J(CH) Couplings in the Vicinity of an Atom Bearing Lone Pairs

1994 ◽  
Vol 98 (36) ◽  
pp. 8858-8861 ◽  
Author(s):  
C. Vizioli ◽  
M. C. Ruiz de Azua ◽  
C. G. Giribet ◽  
R. H. Contreras ◽  
L. Turi ◽  
...  
Keyword(s):  
Nuclear Spin ◽  
Proximity Effects ◽  
Coupling Constants ◽  
Spin Coupling ◽  
Lone Pairs ◽  
Spin Coupling Constants ◽  
Spin Spin Coupling
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