Influence of the INDO parameterization on the indirect spin–spin coupling constants as calculated by the FPT INDO method
Alterations have been introduced in the semi‐empirical INDO parameters in order to study their influence on the Fermi contact term of the indirect spin–spin coupling constants as calculated by the finite perturbation theory (FPT). For this purpose a set of molecules containing hydrogen, carbon and/o...
Guardado en:
| Autores principales: | Contreras, R.H., Engelmann, A.R., Scuseria, G.E., Facelli, J.C. |
|---|---|
| Formato: | JOUR |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_00304921_v13_n2_p137_Contreras |
| Aporte de: |
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