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Ab Initio Calculations of Free Energy Barriers for Chemical Reactions in Solution: Proton Transfer in [FHF]- Richard P. Muller and Arieh Warshel* Department of Chemistry, University of Southern California, Los Angeles, California, 90089-1062 Abstract: This paper describes a hybrid ab initio quantum mechanical/molecular
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Department of Chemical and Biomolecular Engineering, University of California, Los Angeles, 420 Westwood Plaza, Los Angeles, California, 90095, United States *Correspondence and requests for materials should be addressed to: L. S., Y. L. (email: 7KLV
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1. Pac Symp Biocomput. 1996:524-38. Ab initio calculations of free energy barriers for chemical reactions in solution: proton transfer in [FHF]-. Muller RP(1), Warshel A. Author information: (1)Department of Chemistry, University of Southern California, Los Angeles 90089-1062, USA.
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