Harvey, Jeremy.
Jeremy N. Harvey British chemist
Harvey, Jeremy, 1969-
VIAF ID: 4282152200746914400002 (Personal)
Permalink: http://viaf.org/viaf/4282152200746914400002
Preferred Forms
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- 100 1 _ ‡a Harvey, Jeremy
- 100 1 _ ‡a Harvey, Jeremy
- 100 1 _ ‡a Harvey, Jeremy
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- 100 1 _ ‡a Harvey, Jeremy
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- 100 1 _ ‡a Harvey, Jeremy
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- 100 0 _ ‡a Jeremy N. Harvey ‡c British chemist
4xx's: Alternate Name Forms (8)
5xx's: Related Names (2)
Works
Title | Sources |
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Chemia obliczeniowa | |
Computational chemistry | |
Copolymérisation ène/diène : apports théoriques et modélisation moléculaire | |
Copolymerization of olefins with conjugated dienes : theoretical contributions. | |
Dynamics of ligands on gold surfaces to obtain Janus nanoclusters : a theoretical and experimental investigation | |
Dynamique d'échange de ligands sur des sufaces d'or pour obtenir des nanoclusters Janus : une approche théorique et expérimentale. | |
Mechanism of the hydrogenation of ketones catalyzed by trans-dihydrido(diamine)ruthenium II complexes | |
Mechanistic insight into organic and industrial transformations: general discussion | |
MetalMetal Bond Formation Between [n]Metallocenophanes: Synthesis and Characterisation of a Dicarba[2]ruthenocenophanium Dimer | |
Mixed Explicit-Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules | |
Modelling absorption and emission of a meso-aniline–BODIPY based dye with molecular mechanics | |
Multiple high-level QM/MM reaction paths demonstrate transition-state stabilization in chorismate mutase: correlation of barrier height with transition-state stabilization | |
A New Insight into the Stereoelectronic Control of the Pd0 -Catalyzed Allylic Substitution: Application for the Synthesis of Multisubstituted Pyran-2-ones via an Unusual 1,3-Transposition | |
The Newman-Kwart rearrangement of O-aryl thiocarbamates: substantial reduction in reaction temperatures through palladium catalysis | |
Nitrogen Atom Transfer from Iron(IV) Nitrido Complexes: A Dual-Nature Transition State for Atom Transfer | |
NO Bonding to Heme Groups: DFT and Correlated ab Initio Calculations | |
Non-equilibrium phenomena and molecular reaction dynamics: mode space, energy space and conformer space | |
Non-equilibrium reaction and relaxation dynamics in a strongly interacting explicit solvent: F + CD3CN treated with a parallel multi-state EVB model. | |
nσ* and πσ* excited states in aryl halide photochemistry: a comprehensive study of the UV photodissociation dynamics of iodobenzene | |
O2(a1Δg) + Mg, Fe, and Ca: experimental kinetics and formulation of a weak collision, multiwell master equation with spin-hopping. | |
On the Importance of Leaving Group Ability in Reactions of Ammonium, Oxonium, Phosphonium, and Sulfonium Ylides | |
On the Role of Carbon Radical Insertion Reactions in the Growth of Diamond by Chemical Vapor Deposition Methods | |
Optimal control design of laser pulses for mode specific vibrational excitation in an enzyme–substrate complex | |
Organometallic reactivity: the role of metal-ligand bond energies from a computational perspective | |
Origin of Enantioselective Hydrogenation of Ketones by RuH2(diphosphine)(diamine) Catalysts: A Theoretical Study | |
The photolysis of α-hydroperoxycarbonyls. | |
Prediction of enhanced solvent-induced enantioselectivity for a ring opening with a bifurcating reaction path. | |
The product branching and dynamics of the reaction of chlorine atoms with methylamine | |
Product energy deposition of CN + alkane H abstraction reactions in gas and solution phases. | |
Protein dynamics and enzyme catalysis: the ghost in the machine? | |
QM and QM/MM studies of selectivity in organic and bioorganic chemistry | |
QM/MM-Based Calculations of Absorption and Emission Spectra of LSSmOrange Variants. | |
QM/MM modeling of benzene hydroxylation in human cytochrome P450 2C9. | |
QM/MM studies of the electronic structure of the compound I intermediate in cytochrome c peroxidase and ascorbate peroxidase | |
QM/MM study on the mechanism of peptide hydrolysis by carboxypeptidase A | |
Quantum Chemical Modeling of Cycloaddition Reaction in a Self-Assembled Capsule | |
Radical-promoted Stone-Wales rearrangements | |
Raman spectroscopy of diamondoids | |
Rates of Molecular Vibrational Energy Transfer in Organic Solutions | |
Reaction and relaxation at surface hotspots: using molecular dynamics and the energy-grained master equation to describe diamond etching | |
Reaction dynamics. Vibrational relaxation and microsolvation of DF after F-atom reactions in polar solvents. | |
The reaction of M(CO)3(Ph2PCH2CH2PPh2) (M = Fe, Ru) with parahydrogen: probing the electronic structure of reaction intermediates and the internal rearrangement mechanism for the dihydride products | |
The reaction of methyl peroxy and hydroxyl radicals as a major source of atmospheric methanol | |
Reactions of silyl-stabilised sulfur ylides with organoboranes: enantioselectivity, mechanism, and understanding | |
Reactivity and selectivity in the Wittig reaction: a computational study | |
Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇌ CH4 + Cl on ab initio surfaces | |
The Reductive Elimination of Methane fromansa-Hydrido(methyl)metallocenes of Molybdenum and Tungsten: Application of Hammond’s Postulate to Two-State Reactions | |
Role of active site residues in promoting cobalt-carbon bond homolysis in adenosylcobalamin-dependent mutases revealed through experiment and computation | |
Scalar coupling between the 15N centres in methylated 1,8-diaminonaphthalenes and 1,6-diazacyclodecane: to what extent is 2HJNN a reliable indicator of N-N distance? | |
Simplifying iron-phosphine catalysts for cross-coupling reactions | |
Spin-forbidden CO ligand recombination in myoglobin | |
Spin-forbidden hydrogen atom transfer reactions in a cobalt biimidazoline system | |
Spin-Forbidden Ligand Binding to the Ferrous−Heme Group: Ab Initio and DFT Studies | |
Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory. | |
Spin-forbidden reactions: computational insight into mechanisms and kinetics | |
Spin-Forbidden Reactivity of Transition Metal Oxo Species: Exploring the Potential Energy Surfaces | |
Spin-state changes and reactivity in transition metal chemistry: Reactivity of iron tetracarbonyl | |
Spin states: discussion of an open problem | |
Strain-induced cleavage of carbon-carbon bonds: bridge rupture reactions of group 8 dicarba[2]metallocenophanes | |
Studies of Carbon Incorporation on the Diamond {100} Surface during Chemical Vapor Deposition using Density Functional Theory | |
Studies on an iron(iii)-peroxo porphyrin. Iron(iii)-peroxo or iron(ii)-superoxo? | |
The Study of Reactive Intermediates in Condensed Phases. | |
Substituent effects and the mechanism of alkene metathesis catalyzed by ruthenium dichloride catalysts | |
Superelectrophilic intermediates in nitrogen-directed aromatic borylation | |
Suzuki-Miyaura coupling revisited: an integrated computational study | |
Taking Ockham's razor to enzyme dynamics and catalysis | |
Testing high-level QM/MM methods for modeling enzyme reactions: acetyl-CoA deprotonation in citrate synthase | |
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 | |
Theoretical Investigations of the Reactions of N- and O-Containing Species on a C(100):H 2 × 1 Reconstructed Diamond Surface | |
TMEDA in iron-catalyzed Kumada coupling: amine adduct versus homoleptic "ate" complex formation | |
Toward Highly Accurate Spin State Energetics in First-Row Transition Metal Complexes: A Combined CASPT2/CC Approach. | |
Trends in predicted chemoselectivity of cytochrome P450 oxidation: B3LYP barrier heights for epoxidation and hydroxylation reactions. | |
Ultrafast energy flow in the wake of solution-phase bimolecular reactions | |
Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450. | |
Understanding the reactivity bottleneck in the spin-forbidden reaction FeO++H2→Fe++H2O | |
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled | |
Unraveling the mechanism of epoxide formation from sulfur ylides and aldehydes | |
Unraveling the role of protein dynamics in dihydrofolate reductase catalysis | |
UV photolysis of 4-iodo-, 4-bromo-, and 4-chlorophenol: competition between C-Y (Y = halogen) and O-H bond fission. | |
Vibrational Energy Relaxation of Deuterium Fluoride in <i>d</i>-Dichloromethane: Insights from Different Potentials | |
Vibrationally Quantum-State-Specific Reaction Dynamics of H Atom Abstraction by CN Radical in Solution | |
When and how do diaminocarbenes dimerize? |