Jeremy Harvey
Jeremy Harvey
Verified email at kuleuven.be
TitleCited byYear
The singlet and triplet states of phenyl cation. A hybrid approach for locating minimum energy crossing points between non-interacting potential energy surfaces
JN Harvey, M Aschi, H Schwarz, W Koch
Theoretical Chemistry Accounts 99 (2), 95-99, 1998
6701998
Radicals in organic synthesis
P Renaud, MP Sibi
Wiley-vch 1, 317-336, 2001
6142001
Mechanism of the Hydrogenation of Ketones Catalyzed by trans-Dihydrido(diamine)ruthenium(II) Complexes
K Abdur-Rashid, SE Clapham, A Hadzovic, JN Harvey, AJ Lough, ...
Journal of the American Chemical Society 124 (50), 15104-15118, 2002
5022002
Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges
R Poli, JN Harvey
Chemical Society Reviews 32 (1), 1-8, 2003
3982003
Understanding the kinetics of spin-forbidden chemical reactions
JN Harvey
Physical Chemistry Chemical Physics 9 (3), 331-343, 2007
2942007
When and how do diaminocarbenes dimerize?
RW Alder, ME Blake, L Chaker, JN Harvey, F Paolini, J Schütz
Angewandte Chemie International Edition 43 (44), 5896-5911, 2004
2902004
High‐accuracy computation of reaction barriers in enzymes
F Claeyssens, JN Harvey, FR Manby, RA Mata, AJ Mulholland, ...
Angewandte Chemie International Edition 45 (41), 6856-6859, 2006
2862006
On the accuracy of density functional theory in transition metal chemistry
JN Harvey
Annual Reports Section" C"(Physical Chemistry) 102, 203-226, 2006
2792006
Understanding the reactivity of transition metal complexes involving multiple spin states
JN Harvey, R Poli, KM Smith
Coordination chemistry reviews 238, 347-361, 2003
2732003
Spin-forbidden dehydrogenation of methoxy cation: a statistical view
JN Harvey, M Aschi
Physical Chemistry Chemical Physics 1 (24), 5555-5563, 1999
2411999
Mechanism of the Morita− Baylis− Hillman reaction: A computational investigation
R Robiette, VK Aggarwal, JN Harvey
Journal of the American Chemical Society 129 (50), 15513-15525, 2007
2332007
Taking Ockham's razor to enzyme dynamics and catalysis
DR Glowacki, JN Harvey, AJ Mulholland
Nature chemistry 4 (3), 169, 2012
2062012
Aryl trifluoroborates in Suzuki–Miyaura coupling: the roles of endogenous aryl boronic acid and fluoride
M Butters, JN Harvey, J Jover, AJJ Lennox, GC Lloyd‐Jones, PM Murray
Angewandte Chemie International Edition 49 (30), 5156-5160, 2010
1982010
DFT computation of relative spin-state energetics of transition metal compounds
JN Harvey
Principles and applications of density functional theory in inorganic …, 2004
1822004
Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus (III)-donor ligands and the metal–phosphorus bond
N Fey, AG Orpen, JN Harvey
Coordination Chemistry Reviews 253 (5-6), 704-722, 2009
1592009
Effects of sequential ligation of molybdenum cation by chalcogenides on electronic structure and gas-phase reactivity
I Kretzschmar, A Fiedler, JN Harvey, D Schröder, H Schwarz
The Journal of Physical Chemistry A 101 (35), 6252-6264, 1997
1581997
Does compound I vary significantly between isoforms of cytochrome P450?
R Lonsdale, J Oláh, AJ Mulholland, JN Harvey
Journal of the American Chemical Society 133 (39), 15464-15474, 2011
1552011
Development and application of a possible mechanism for the generation of cis-pinic acid from the ozonolysis of α-and β-pinene
ME Jenkin, DE Shallcross, JN Harvey
Atmospheric Environment 34 (18), 2837-2850, 2000
1552000
Spin-Forbidden Ligand Binding to the Ferrous− Heme Group: Ab Initio and DFT Studies
N Strickland, JN Harvey
The Journal of Physical Chemistry B 111 (4), 841-852, 2007
1532007
Modelling spin-forbidden reactions: recombination of carbon monoxide with iron tetracarbonyl
JN Harvey, M Aschi
Faraday discussions 124, 129-143, 2003
1522003
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Articles 1–20