Free energy perturbation calculations with combined QM/MM Potentials complications, simplifications, and applications to redox potential calculations

TitleFree energy perturbation calculations with combined QM/MM Potentials complications, simplifications, and applications to redox potential calculations
Publication TypeJournal Article
Year of Publication2003
AuthorsLi, GH, Zhang, XD, Cui, Q
JournalJournal of Physical Chemistry B
Volume107
Pagination8643-8653
Date PublishedAug 21
Accession Number713KB-0057