Two-dimensional free-energy surface on the exchange reaction of alkyl chloride/chloride using the QM/MM-MC method

Journal Article
Phys. Chem. Chem. Phys., vol. 10, iss. 6, pp. 844-849, 2008
Authors
Masayuki Ohisa, Hiroshi Yamataka, Michel Dupuis, Misako Aida
English