The performance of density functional theory with the correlation consistent basis sets.
Density functional theory has been used in combination with the correlation consistent and polarization consistent basis sets to investigate the structures and energetics for a series of first-row closed shell and several second-row molecules of potential importance in atmospheric chemistry. The imp...
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| Format: | Others |
| Language: | English |
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University of North Texas
2005
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| Online Access: | https://digital.library.unt.edu/ark:/67531/metadc4830/ |