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-. Journal of Computational Chemistry, 24(2):209-221, 2003. [doi]
@article{HoriTN03,
title = {Hybrid QM/MM molecular dynamics simulations for an ionic SN2 reaction in the supercritical water: OH- + CH3Cl -> CH3OH + Cl-},
author = {Takumi Hori and Hideaki Takahashi and Tomoshige Nitta},
year = {2003},
doi = {10.1002/jcc.10134},
url = {http://dx.doi.org/10.1002/jcc.10134},
researchr = {https://researchr.org/publication/HoriTN03},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {24},
number = {2},
pages = {209-221},
}