Jiali Gao, Kin-Yiu Wong, Dan T. Major. Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water. Journal of Computational Chemistry, 29(4):514-522, 2007. [doi]
@article{GaoWM07,
title = {Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water},
author = {Jiali Gao and Kin-Yiu Wong and Dan T. Major},
year = {2007},
doi = {10.1002/jcc.20810},
url = {http://dx.doi.org/10.1002/jcc.20810},
researchr = {https://researchr.org/publication/GaoWM07},
cites = {0},
citedby = {0},
journal = {Journal of Computational Chemistry},
volume = {29},
number = {4},
pages = {514-522},
}