"Ab initio QM/MM simulations with a molecular orbital-valence bond (MOVB) ..."

Yirong Mo, Jiali Gao (2000)

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DOI: 10.1002/1096-987X(200012)21:16<1458::AID-JCC4>3.0.CO;2-2

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type: Journal Article

metadata version: 2020-04-01

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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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