Inclusion of hydrogen p orbitals in the
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J. C. Facelli; R. H. Contreras
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Article
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1981
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John Wiley and Sons
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English
⚖ 497 KB
## Abstract The self‐consistent perturbation theory is used to calculate noncontract contributions to spin–spin coupling constants involving protons. Molecular wave functions were obtained with a modified version of the INDO method which includes hydrogen 2__p__ orbitals in its basis set. It is fou