Ab initio calculations on iron-porphyrin model systems for intermediates in the oxidative cycle of cytochrome P450s.

M.J. de Groot, R.W.A. Havenith, H.M. Vinkers, R. Zwaans, N.P.E. Vermeulen, J.H. Lenthe

Research output: Contribution to JournalArticleAcademicpeer-review

Original languageEnglish
Pages (from-to)183-193
JournalJournal of Computer-aided Molecular Design
Volume12
DOIs
Publication statusPublished - 1998

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