Jeremy N. Harvey

发表

Comment on “A stationary‐wave model of enzyme catalysis” by Carlo Canepa

Richard Lonsdale, Jeremy N. Harvey, Frederick R. Manby, 2011, J. Comput. Chem..

Millimeterwave mixers for high capacity digital radio links

Jeremy N. Harvey, Anthony E. Parker, Venkata Gutta, 2008 .

QM/MM modeling of compound I active species in cytochrome P450, cytochrome C peroxidase, and ascorbate peroxidase

Jeremy N. Harvey, Adrian J. Mulholland, Christine M. Bathelt, 2006, J. Comput. Chem..

Design of Optimal Laser Fields to Control Vibrational Excitations in Carboxy-myoglobin

Jeremy N. Harvey, Praveen Kumar, Harjinder Singh, 2008, ICCS.

Adding Value to Crystallographically-Derived Knowledge Bases

Jeremy N. Harvey, Stephanie E. Harris, A. Guy Orpen, 2006, J. Chem. Inf. Model..

Computational descriptors for chelating P,P- and P,N-donor ligands

Jeremy N. Harvey, A. Guy Orpen, Natalie Fey, 2008 .

The reductive elimination of methane from ansa-hydrido(methyl)metallocenes of molybdenum and tungsten : Application of Hammond's postulate to two-state reactions

José-Luis Carreón-Macedo, Jeremy N. Harvey, Rinaldo Poli, 2005 .

The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces

Massimiliano Aschi, Wolfram Koch, Jeremy N. Harvey, 1998 .

Expansion of the Ligand Knowledge Base for Chelating P,P-Donor Ligands (LKB-PP)

Jeremy N. Harvey, A. Guy Orpen, Natalie Fey, 2012, Organometallics.

Expansion of the Ligand Knowledge Base for Monodentate P-Donor Ligands (LKB-P)†

Jeremy N. Harvey, A. Guy Orpen, Natalie Fey, 2010 .

Does Compound I Vary Significantly between Isoforms of Cytochrome P450?

Jeremy N. Harvey, Adrian J. Mulholland, Julianna Oláh, 2011, Journal of the American Chemical Society.

Theoretical investigation of the spin crossover transition states of the addition of methane to a series of Group 6 metallocenes using minimum energy crossing points

Jeremy N. Harvey, Rinaldo Poli, J. Harvey, 2002 .

DFT Computation of the Intrinsic Barrier to CO Geminate Recombination with Heme Compounds

Jeremy N. Harvey, J. Harvey, 2000 .

Ab initio QM/MM modeling of the hydroxylation step in p-hydroxybenzoate hydroxylase

Lars Ridder, Jeremy N. Harvey, Adrian J. Mulholland, 2003 .

Inclusion of Dispersion Effects Significantly Improves Accuracy of Calculated Reaction Barriers for Cytochrome P450 Catalyzed Reactions

Jeremy N. Harvey, Adrian J. Mulholland, Richard Lonsdale, 2010 .

QM and QM/MM studies of selectivity in organic and bioorganic chemistry

José-Luis Carreón-Macedo, Jeremy N. Harvey, Adrian J. Mulholland, 2006 .

Scope and Challenge of Computational Methods for Studying Mechanism and Reactivity in Homogeneous Catalysis

Jeremy N. Harvey, Fahmi Himo, Feliu Maseras, 2019, ACS Catalysis.

QM/MM modeling of benzene hydroxylation in human cytochrome P450 2C9.

Jeremy N. Harvey, Adrian J. Mulholland, Christine M. Bathelt, 2008, The journal of physical chemistry. A.