| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5382960 | Chemical Physics Letters | 2012 | 6 Pages |
Abstract
⺠We added tight functions at the XZP basis sets (X = D, T). ⺠Description of electron correlation energy in core region was improved. ⺠Applying the Woon and Dunning's method we generated new CXZP (X = D, T) basis sets. ⺠We did calculations of NMR indirect spin-spin coupling constants for nine molecules. ⺠We showed that the CXZP sets provided best values of coupling constants.
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Authors
P.J.P. de Oliveira, M.S. Gomes, J.M. Pires,