On the choice of active space orbitals in MCSCF calculations
Autor: | Rogers, David M., Wells, Claire, Joseph, Melanie, Boddington, Vanessa J., McDouall, Joseph J.W. * |
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Zdroj: | In Journal of Molecular Structure: THEOCHEM 1998 434(1):239-245 |
Databáze: | ScienceDirect |
Externí odkaz: |