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Journal of the American Chemical Society|November 29, 2007
Mechanism of the Morita-Baylis-Hillman reaction: a computational investigationRaphaël Robiette, Varinder K Aggarwal, Jeremy N HarveyAngewandte Chemie (International Ed. in English)|April 22, 2017
The Dynamics of the Reaction of FeO+ and H2 : A Model for Inorganic OxidationStéphanie Essafi, David P Tew, Jeremy N HarveyProceedings of the National Academy of Sciences of the United States of America|March 30, 2011
Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450Julianna Oláh, Adrian J Mulholland, Jeremy N HarveyBiophysical Journal|January 3, 2006
The Fe-CO bond energy in myoglobin: a QM/MM study of the effect of tertiary structureNikki Strickland, Adrian J Mulholland, Jeremy N HarveyJournal of the American Chemical Society|May 16, 2002
Unraveling the mechanism of epoxide formation from sulfur ylides and aldehydesVarinder K Aggarwal, Jeremy N Harvey, Jeffery RichardsonChemical Society Reviews|January 27, 2012
A practical guide to modelling enzyme-catalysed reactionsRichard Lonsdale, Jeremy N Harvey, Adrian J MulhollandPhysical Chemistry Chemical Physics : PCCP|October 19, 2020
Energetics of non-heme iron reactivity: can ab initio calculations provide the right answer?Milica Feldt, Carlos Martín-Fernández, Jeremy N HarveyThe Journal of Physical Chemistry. B|December 16, 2016
QM/MM-Based Calculations of Absorption and Emission Spectra of LSSmOrange VariantsMaike Bergeler, Hideaki Mizuno, Eduard Fron, et al.Inorganic Chemistry|May 27, 2008
Computational analysis of amine-borane adducts as potential hydrogen storage materials with reversible hydrogen uptakeAnne Staubitz, Maria Besora, Jeremy N Harvey, et al.Physical Chemistry Chemical Physics : PCCP|October 1, 2009
A computational study of the atmospheric oxidation of nopinonePeter J Lewis, Katherine A Bennett, Jeremy N HarveyPageof 19