Molecular properties from combined QM/MM methods. I. Analytical second derivative and vibrational calculations

TitleMolecular properties from combined QM/MM methods. I. Analytical second derivative and vibrational calculations
Publication TypeJournal Article
Year of Publication2000
AuthorsCui, Q, Karplus, M
JournalJournal of Chemical Physics
Volume112
Pagination1133-1149
Date PublishedJan
ISBN Number0021-9606
Accession NumberWOS:000084598900010