Torsional anharmonicity in the conformational analysis of beta-D-galactose.
Schemes to include a treatment of torsional anharmonicity in the conformational analysis of biological molecules are introduced. The approaches combine ab initio electronic energies and harmonic frequencies with anharmonic torsional partition functions calculated using the torsional path integral Mo...
| Main Authors: | , , |
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| Format: | Journal article |
| Language: | English |
| Published: |
2006
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