A Density Functional Theory Investigation on the Mechanism of the Second Half-Reaction of Nitric Oxide Synthase.

Density functional theory methods have been employed to systematically investigate the overall mechanism of the second half-reaction of nitric oxide synthases. The initial heme-bound hydrogen peroxide intermediate previously identified is found to first undergo a simple rotation about its OO peroxi...

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Bibliographic Details

Published in:	Journal of the American Chemical Society Vol. 130; no. 11; pp. 3328 - 3335
Main Authors:	Robinet, Jesse J., Kyung-Bin Cho, Gauld, James W.
Format:	Article
Published:	American Chemical Society 3/19/2008
Subjects:	Density functionals Nitric oxide Hydrogen peroxide Nitrogen compounds Functional analysis
Online Access:	View this record in EBSCOhost