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ORCID"Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) ..."
Yirong Mo, Jiali Gao (2000)
- Yirong Mo, Jiali Gao:
Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) method: application to an SN2 reaction in water. J. Comput. Chem. 21(16): 1458-1469 (2000)
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