Systematic convergence of energies with respect to basis set and treatment of electron correlation: focal-point conformational analysis of methanol.
| Autor: | Kahn, K.1, Bruice, T. C.1 tcbruice@chem.ucsb.edu |
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| Zdroj: | Theoretical Chemistry Accounts: Theory, Computation, & Modeling. Feb2004, Vol. 111 Issue 1, p18-24. 7p. |
| Databáze: | Academic Search Ultimate |
| Externí odkaz: |
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