The evaluation, development, and application of the correlation consistent basis sets.
Employing correlation consistent basis sets coupled with electronic structure methods has enabled accurate predictions of chemical properties for second- and third-row main group and transition metal molecular species. For third-row (Ga-Kr) molecules, the performance of the correlation consistent b...
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| Format: | Others |
| Language: | English |
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University of North Texas
2006
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| Online Access: | https://digital.library.unt.edu/ark:/67531/metadc5484/ |