Generalized Hybrid Orbital for the Treatment of Boundary Atoms in Combined QM/MM Calculations Using the PM3 Model.

M. Garcia-Viloca, J. Gao, M. Karplus, D.G. Truhlar

Research output: Contribution to journalArticleResearch

33 Citations (Scopus)
Original languageEnglish
Pages (from-to)280-286
JournalTheoretical Chemistry Accounts
Volume111
Publication statusPublished - 1 Jan 2004

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