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Hybrid approach for including electronic and nuclear quantum effects in molecular dynamics simulations of hydrogen transfer reactions in enzymes
Billeter, Salomon R., Webb, Simon P., Iordanov, Tzvetelin, Agarwal, Pratul K., Hammes-Schiffer, SharonVolume:
114
Year:
2001
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.1356441
File:
PDF, 559 KB
english, 2001