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"Hybrid QM/MM molecular dynamics simulations for an ionic SN2 reaction in ..."

Takumi Hori, Hideaki Takahashi, Tomoshige Nitta (2003)

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DOI: 10.1002/JCC.10134

access: closed

type: Journal Article

metadata version: 2020-04-01

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Takumi Hori, Hideaki Takahashi, Tomoshige Nitta:
Hybrid QM/MM molecular dynamics simulations for an ionic SN2 reaction in the supercritical water: OH- + CH3Cl -> CH3OH + Cl-. J. Comput. Chem. 24(2): 209-221 (2003)

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