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Theoretical investigation of the proton assisted pathway to formation of cytochrome P450 compound I
January 01, 1998
Article
Calculations of the structure and spectra of the putative transient peroxide intermediates of peroxidases
June 01, 1997
Article
Structure and relative spin-state energetics of [Fe(H2O)6]3+: A comparison of UHF, Møller-Plesset, nonlocal DFT, and semiempircal INDO/S calculations
May 01, 1997