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Journal of the American Chemical Society|May 6, 2004
Do spin state changes matter in organometallic chemistry? A computational studyJosé-Luis Carreón-Macedo, Jeremy N HarveyACS Omega|February 4, 2020
Iron-Catalyzed Reductive Coupling of Alkyl Iodides with Alkynes To Yield cis-Olefins: Mechanistic Insights from ComputationAndrea Darù, Xile Hu, Jeremy N HarveyThe Journal of Physical Chemistry. A|September 25, 2023
Machine Learning Representations of the Three Lowest Adiabatic Electronic Potential Energy Surfaces for the ArH2+ Reactive SystemMaarten Konings, Jeremy N Harvey, Jérôme LoreauPhysical Chemistry Chemical Physics : PCCP|February 17, 2006
Computational study of the energetics of 3Fe(CO)4, 1Fe(CO)4 and 1Fe(CO)4(L), L = Xe, CH4, H2 and COJosé-Luis Carreón-Macedo, Jeremy N HarveyPhysical Chemistry Chemical Physics : PCCP|November 10, 2025
Photoinduced decarboxylation in fluorescent proteins: charge-transfer states and structure-function relationshipJanko Čivić, Hideaki Mizuno, Jeremy N HarveyPhysical Chemistry Chemical Physics : PCCP|December 20, 2021
Effect of solvent motions on the dynamics of the Diels-Alder reactionXiaoyong Zhang, Pierre-Louis Lefebvre, Jeremy N HarveyJournal of Chemical Theory and Computation|November 26, 2015
Effects of Dispersion in Density Functional Based Quantum Mechanical/Molecular Mechanical Calculations on Cytochrome P450 Catalyzed ReactionsRichard Lonsdale, Jeremy N Harvey, Adrian J MulhollandThe Journal of Physical Chemistry. B|December 18, 2009
Compound I reactivity defines alkene oxidation selectivity in cytochrome P450camRichard Lonsdale, Jeremy N Harvey, Adrian J MulhollandDalton Transactions (Cambridge, England : 2003)|August 6, 2014
Computed ligand effects on the oxidative addition of phenyl halides to phosphine supported palladium(0) catalystsClaire L McMullin, Natalie Fey, Jeremy N HarveyJournal of Chemical Theory and Computation|February 8, 2021
Vibrational Energy Relaxation of Deuterium Fluoride in d-Dichloromethane: Insights from Different PotentialsXiaoyong Zhang, Saulo A Vázquez, Jeremy N HarveyPageof 19