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"Combined QM/MM and path integral simulations of kinetic isotope effects in ..."
Jiali Gao, Kin-Yiu Wong, Dan Thomas Major (2007)
- Jiali Gao, Kin-Yiu Wong
, Dan Thomas Major
:
Combined QM/MM and path integral simulations of kinetic isotope effects in the proton transfer reaction between nitroethane and acetate ion in water. J. Comput. Chem. 29(4): 514-522 (2007)
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