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
6591998
Radicals in organic synthesis
P Renaud, MP Sibi
Wiley-vch 1, 317-336, 2001
6022001
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
5002002
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
3892003
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
2892004
Understanding the kinetics of spin-forbidden chemical reactions
JN Harvey
Physical Chemistry Chemical Physics 9 (3), 331-343, 2007
2882007
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
2802006
Understanding the reactivity of transition metal complexes involving multiple spin states
JN Harvey, R Poli, KM Smith
Coordination chemistry reviews 238, 347-361, 2003
2692003
On the accuracy of density functional theory in transition metal chemistry
JN Harvey
Annual Reports Section" C"(Physical Chemistry) 102, 203-226, 2006
2682006
Spin-forbidden dehydrogenation of methoxy cation: a statistical view
JN Harvey, M Aschi
Physical Chemistry Chemical Physics 1 (24), 5555-5563, 1999
2361999
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
2322007
DFT computation of relative spin-state energetics of transition metal compounds
JN Harvey
Principles and applications of density functional theory in inorganic …, 2004
2282004
Taking Ockham's razor to enzyme dynamics and catalysis
DR Glowacki, JN Harvey, AJ Mulholland
Nature chemistry 4 (3), 169, 2012
2032012
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
1952010
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
1562009
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
1541997
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
1512011
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
1512000
Accurate modelling of Pd (0)+ PhX oxidative addition kinetics
CL McMullin, J Jover, JN Harvey, N Fey
Dalton Transactions 39 (45), 10833-10836, 2010
1492010
Do spin state changes matter in organometallic chemistry? A computational study
JL Carreón-Macedo, JN Harvey
Journal of the American Chemical Society 126 (18), 5789-5797, 2004
1492004
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