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Journal of Chemical Theory and Computation

Volumn 3, Issue 3, 2007, Pages 949-960

An integrated path integral and free-energy perturbation-umbrella sampling method for computing kinetic isotope effects of chemical reactions in solution and in enzymes

(2) Major, Dan Thomas a Gao, Jiali a,b

a University of Minnesota (United States)

b BARCELONA SUPERCOMPUTING CENTER (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 36148963327 PISSN: 15499618 EISSN: None Source Type: Journal
DOI: 10.1021/ct600371k Document Type: Article

Times cited : (87)

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