List of works by Jeremy N. Harvey

A B3LYP-DBLOC empirical correction scheme for ligand removal enthalpies of transition metal complexes: parameterization against experimental and CCSD(T)-F12 heats of formation

scientific article published on 18 April 2012

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

scientific article published on 09 May 2019

A catalytic role for methionine revealed by a combination of computation and experiments on phosphite dehydrogenase

A combined theoretical and experimental study on the role of spin states in the chemistry of Fe(CO)5 photoproducts

scientific article published in March 2009

A computational study of arene coordination to singly- and doubly-charged iron atoms

A computational study of phosphine ligand effects in Suzuki–Miyaura coupling☆

A computational study of the atmospheric oxidation of nopinone

scientific article published in April 2005

A ligand knowledge base for carbenes (LKB-C): maps of ligand space

scientific article published on 14 August 2009

A practical guide to modelling enzyme-catalysed reactions

scientific article published on 26 January 2012

A radical rebound mechanism for the methane oxidation reaction promoted by the dicopper center of a pMMO enzyme: a computational perspective

scientific article published on 24 December 2015

Ab Initio Calculations for Spin-Gaps of Non-Heme Iron Complexes

scientific article published on 05 July 2019

Ab Initio QM/MM Modeling of the Hydroxylation Step inp-Hydroxybenzoate Hydroxylase

article by Lars Ridder et al published March 2003 in Journal of Physical Chemistry

Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase

scientific article

Ab initio transition state theory for polar reactions in solution

Accuracy in determining interproton distances using Nuclear Overhauser Effect data from a flexible molecule

scientific article

Accurate modelling of Pd(0) + PhX oxidative addition kinetics ⬇️

scientific article published on October 20, 2010

Acid-Sensitive BODIPY Dyes: Synthesis through Pd-Catalyzed Direct C(sp3 )-H Arylation and Photophysics

scientific article published on 30 January 2017

Activation of the SN2 Reaction by Adjacent π Systems: The Critical Role of Electrostatic Interactions and of Dissociative Character

scientific article published on 12 January 2016

Adding Value to Crystallographically-Derived Knowledge Bases†

scientific article published on 01 March 2006

Alkene hydroboration: hot intermediates that react while they are cooling.

scientific article published in October 2010

An ESR study of the reaction of silver atoms with B2F4 under matrix isolation conditions

An experimental and theoretical investigation of the competition between chemical reaction and relaxation for the reactions of 1CH2 with acetylene and ethene: implications for the chemistry of the giant planets

scientific article

An investigation of the molecular geometry and electronic structure of nitryl chloride by a combination of rotational spectroscopy and ab initio calculationsa)

scientific article published on 01 May 2008

Analysis of chorismate mutase catalysis by QM/MM modelling of enzyme-catalysed and uncatalysed reactions

scientific article published on 18 January 2011

Analysis of polarization in QM/MM modelling of biologically relevant hydrogen bonds

scientific article published on December 2008

Anatomy of On-Surface Synthesized Boroxine Two-Dimensional Polymers

scientific article published on 03 February 2020

Aromatic 4-tetrahydropyranyl and 4-quinuclidinyl cations. Linking Prins with Cope and Grob

scientific article published in May 2002

Aromatic hydroxylation by cytochrome P450: model calculations of mechanism and substituent effects.

scientific article published in December 2003

Aryl trifluoroborates in Suzuki-Miyaura coupling: the roles of endogenous aryl boronic acid and fluoride

scientific article

Assembly-line synthesis of organic molecules with tailored shapes

scientific article

Atmospheric hydrocarbon activation by the hydroxyl radical: a simple yet accurate computational protocol for calculating rate coefficients

scientific article published on 9 November 2011

Bond-forming reactions of dications: Production of ArO+ and ArO2+ in the reaction of Ar2+ with O2

Boron Incorporation at a Diamond Surface: A QM/MM Study of Insertion and Migration Pathways during Chemical Vapor Deposition

Building ligand knowledge bases for organometallic chemistry: Computational description of phosphorus(III)-donor ligands and the metal–phosphorus bond

article published in 2009

CH2 Group Migration between H-Terminated 2 × 1 Reconstructed {100} and {111} Surfaces of Diamond

Can (pi)6 + (pi)4 = 10? Exploring cycloaddition routes to highly unsaturated 10-membered rings

scientific article published in June 2010

Cold chemistry with electronically excited Ca+ Coulomb crystals

scientific article

Comment on "A stationary-wave model of enzyme catalysis" by Carlo Canepa.

scientific article published in January 2011

Comment on "Molecular dynamics DFT:B3LYP study of guanosinetriphosphate conversion into guanosinemonophosphate upon Mg2+ chelation of alpha and beta phosphate oxygens of the triphosphate tail" by Alexander A. Tulub, Phys. Chem. Chem. Phys., 2006, 8,

scientific article published in December 2006

Compound I reactivity defines alkene oxidation selectivity in cytochrome P450cam

scientific article published in January 2010

Computational Analysis of Amine−Borane Adducts as Potential Hydrogen Storage Materials with Reversible Hydrogen Uptake

scientific article published on 24 May 2008

Computational Descriptors for Chelating P,P- and P,N-Donor Ligands1

Computational Kinetics of Cobalt-Catalyzed Alkene Hydroformylation

scientific article published on 03 April 2014

Computational Modelling of Selectivity in Cobalt‐Catalyzed Propene Hydroformylation

scientific article published on 23 October 2018

Computational chemistry: a multitude of spins

scientific article published in August 2013

Computational insight into the origin of unexpected contrast in chiral markers as revealed by STM.

scientific article published on 21 December 2017

Computational studies of elementary steps relating to boron doping during diamond chemical vapour deposition

scientific article published on 01 March 2005

Computational study of PtBu3 as ligand in the palladium-catalysed amination of phenylbromide with morpholine☆

Computational study of the energetics of 3Fe(CO)4, 1Fe(CO)4 and 1Fe(CO)4(L), L = Xe, CH4, H2 and CO.

scientific article published in November 2005

Computational study of the spin-forbidden H2oxidative addition to 16-electron Fe(0) complexes

article

Computed ligand effects on the oxidative addition of phenyl halides to phosphine supported palladium(0) catalysts

scientific article published in September 2014

Conceptual Insights into DFT Spin-State Energetics of Octahedral Transition-Metal Complexes through a Density Difference Analysis

scientific article published on 7 November 2017

Conformational effects in enzyme catalysis: reaction via a high energy conformation in fatty acid amide hydrolase

scientific article published on 10 November 2006

Construction of Multiple, Contiguous Quaternary Stereocenters in Acyclic Molecules by Lithiation-Borylation

scientific article published on 03 December 2014

Counterintuitive kinetics in Tsuji-Trost allylation: ion-pair partitioning and implications for asymmetric catalysis

scientific article published on 8 October 2008

DFT Computation of Relative Spin-State Energetics of Transition Metal Compounds

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

article published in 2000

Decoupling deprotonation from metalation: Thia-Fries rearrangement

scientific article published in January 2008

Density functional localized orbital corrections for transition metals

scientific article published in October 2008

Design of an infrared laser pulse to control the multiphoton dissociation of the Fe-CO bond in CO-heme compounds

scientific article

Development of Enantiospecific Coupling of Secondary and Tertiary Boronic Esters with Aromatic Compounds

scientific article published on 6 July 2016

Development of a Ligand Knowledge Base, Part 1: Computational Descriptors for Phosphorus Donor Ligands

scientific article published on 01 December 2005

Dioxygen insertion into the gold(i)–hydride bond: spin orbit coupling effects in the spotlight for oxidative addition

scientific article published on 25 July 2016

Do Spin State Changes Matter in Organometallic Chemistry? A Computational Study

scientific article published on 01 May 2004

Does compound I vary significantly between isoforms of cytochrome P450?

scientific article published on 12 September 2011

Dynamical Effects and Product Distributions in Simulated CN + Methane Reactions

scientific article

EVB and polarizable MM study of energy relaxation in fluorine-acetonitrile reactions

scientific article published on 01 July 2019

Effects of Dispersion in Density Functional Based Quantum Mechanical/Molecular Mechanical Calculations on Cytochrome P450 Catalyzed Reactions

scientific article published on 4 September 2012

Electronic Effects on the Stability of Isomeric Alkyl Transition Metal Compounds‡

Electronic Structure of Compound I in Human Isoforms of Cytochrome P450 from QM/MM Modeling

scientific article published on 01 September 2005

Electronic structure and formation of simple ferryloxo complexes: mechanism of the Fenton reaction

scientific article published in May 2014

Energetics of non-heme iron reactivity: can ab initio calculations provide the right answer?

scientific article published on 19 October 2020

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

scientific article

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

article published in 2010

Expedient Iron-Catalyzed Coupling of Alkyl, Benzyl and Allyl Halides with Arylboronic Esters

scientific article published on 08 April 2014

Exploiting Boron-Zinc Transmetallation for the Arylation of Benzyl Halides: What are the Reactive Species?

scientific article published on 18 April 2012

Factors controlling the relative stabilities of cis- and trans-[PtX2L2] isomers: Chatt and Wilkins—50 years on

scientific article published on 01 January 2003

Frontispiece: Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory

Gas-phase proton transfer from dications: Coulombic repulsion between reaction products in C60H2++B (B=C3H3N, HCN and CO)

Halogenated building blocks for 2D crystal engineering on solid surfaces: lessons from hydrogen bonding

scientific article published on 06 March 2019

High level QM/MM modeling of the formation of the tetrahedral intermediate in the acylation of wild type and K73A mutant TEM-1 class A beta-lactamase

scientific article published in October 2009

High precision NOEs as a probe for low level conformers--a second conformation of strychnine.

scientific article published on 26 November 2010

High-accuracy computation of reaction barriers in enzymes.

scientific article published in October 2006

Highly Selective Allylborations of Aldehydes Using α,α-Disubstituted Allylic Pinacol Boronic Esters

scientific article published on 05 May 2014

Highly enantioselective synthesis of glycidic amides using camphor-derived sulfonium salts. Mechanism and applications in synthesis

scientific article published in February 2006

Histidine <i>versus</i> Cysteine-Bearing Heme-Dependent Halogen Peroxidases: Parallels and Differences for Cl<sup>-</sup> Oxidation

scientific article published on 22 December 2020

Homologation of Boronic Esters with Organolithium Compounds: A Computational Assessment of Mechanism

scientific article published on 28 October 2014

How Does Chemisorption Impact Physisorption? Molecular View of Defect Incorporation and Perturbation of Two-Dimensional Self-Assembly

How Important Is Backbonding in Metal Complexes Containing N-Heterocyclic Carbenes? Structural and NBO Analysis

How Important Is Metal−Ligand Back-Bonding toward YX3Ligands (Y = N, P, C, Si)? An NBO Analysis

article published in 2007

How Static Disorder Mimics Decoherence in Anisotropy Pump-Probe Experiments on Purple-Bacteria Light Harvesting Complexes

scientific article

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

Influence of Cyclopentadienyl Ring-Tilt on Electron-Transfer Reactions: Redox-Induced Reactivity of Strained [2] and [3]Ruthenocenophanes

scientific article published on 08 October 2014

Insight into metal–phosphorus bonding from analysis of the electronic structure of redox pairs of metal–phosphine complexes

Insight into the Hydrogen Migration Processes Involved in the Formation of Metal–Borane Complexes: Importance of the Third Arm of the Scorpionate Ligand

Iron Phosphine Catalyzed Cross-Coupling of Tetraorganoborates and Related Group 13 Nucleophiles with Alkyl Halides

Iron(I) in Negishi Cross-Coupling Reactions

scientific article published on 18 June 2012

Is phenyl a good migrating group in the rearrangement of organoborates generated from sulfur ylides?

scientific article published on 5 January 2006

Limits of Coupled-Cluster Calculations for Non-Heme Iron Complexes

scientific article published on 16 January 2019

Mechanism and reactivity in the Morita-Baylis-Hillman reaction: the challenge of accurate computations

scientific article published on 8 November 2017

Mechanism and structure-reactivity relationships for aromatic hydroxylation by cytochrome P450.

scientific article published on 28 September 2004

Mechanism of the Morita-Baylis-Hillman reaction: a computational investigation

scientific article published on 28 November 2007

Mechanism of the highly effective peptide bond hydrolysis by MOF-808 catalyst under biologically relevant conditions

scientific article published on 29 October 2020

Mechanism of the hydrogenation of ketones catalyzed by trans-dihydrido(diamine)ruthenium II complexes

scientific article published in December 2002

Mechanisms of reaction in cytochrome P450: Hydroxylation of camphor in P450cam.

scientific article

Mechanistic insight into organic and industrial transformations: general discussion

scientific article published on 01 December 2019

MetalMetal Bond Formation Between [n]Metallocenophanes: Synthesis and Characterisation of a Dicarba[2]ruthenocenophanium Dimer

scientific article published on 25 May 2012

Microsolvation of metal ions: on the stability of [Zr(CH3CN)]4+ and other multiply charged ions

Mixed Explicit-Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules

scientific article published in 2018

Modelling absorption and emission of a meso-aniline–BODIPY based dye with molecular mechanics

scientific article published on 01 May 2018

Multiple high-level QM/MM reaction paths demonstrate transition-state stabilization in chorismate mutase: correlation of barrier height with transition-state stabilization

scientific article

NO Bonding to Heme Groups: DFT and Correlated ab Initio Calculations

scientific article published on 01 July 2009

Nitrogen Atom Transfer from Iron(IV) Nitrido Complexes: A Dual-Nature Transition State for Atom Transfer

scientific article published on 08 September 2011

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

scientific article published in July 2015

O2(a1Δg) + Mg, Fe, and Ca: experimental kinetics and formulation of a weak collision, multiwell master equation with spin-hopping. ⬇️

scientific article

On the Importance of Leaving Group Ability in Reactions of Ammonium, Oxonium, Phosphonium, and Sulfonium Ylides

scientific article published on 01 August 2005

On the Role of Carbon Radical Insertion Reactions in the Growth of Diamond by Chemical Vapor Deposition Methods

scientific article published on 01 October 2009

On the accuracy of density functional theory in transition metal chemistry

On the origin of high E selectivity in the Wittig reaction of stabilized ylides: importance of dipole-dipole interactions

scientific article

On-the-fly ab initio trajectory calculations of the dynamics of Cl atom reactions with methane, ethane and methanol.

scientific article published in January 2004

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

scientific article published on 19 August 2011

Origin of Enantioselective Hydrogenation of Ketones by RuH2(diphosphine)(diamine) Catalysts: A Theoretical Study

Prediction of enhanced solvent-induced enantioselectivity for a ring opening with a bifurcating reaction path.

scientific article published on 18 December 2014

Product energy deposition of CN + alkane H abstraction reactions in gas and solution phases.

scientific article

Protein dynamics and enzyme catalysis: the ghost in the machine?

scientific article published on June 2012

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

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

scientific article published in December 2008

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

scientific article published on September 2006

QM/MM studies of the electronic structure of the compound I intermediate in cytochrome c peroxidase and ascorbate peroxidase

scientific article published on 13 September 2005

QM/MM study on the mechanism of peptide hydrolysis by carboxypeptidase A

article published in 2009

QM/MM-Based Calculations of Absorption and Emission Spectra of LSSmOrange Variants.

scientific article published on 6 December 2016

Quantum Chemical Modeling of Cycloaddition Reaction in a Self-Assembled Capsule

scientific article published on 11 October 2017

Quantum Mechanics/Molecular Mechanics Modeling of Drug Metabolism: Mexiletine N-Hydroxylation by Cytochrome P450 1A2

scientific article published on 10 May 2016

Quantum mechanics/molecular mechanics modeling of regioselectivity of drug metabolism in cytochrome P450 2C9.

scientific article published on 16 May 2013

Radical-promoted Stone-Wales rearrangements

scientific article published in March 2004

Raman spectroscopy of diamondoids

scientific article

Rates of Molecular Vibrational Energy Transfer in Organic Solutions

article

Reaction and relaxation at surface hotspots: using molecular dynamics and the energy-grained master equation to describe diamond etching

scientific article published on April 2017

Reaction dynamics. Vibrational relaxation and microsolvation of DF after F-atom reactions in polar solvents.

scientific article published on January 2015

Reactions of silyl-stabilised sulfur ylides with organoboranes: enantioselectivity, mechanism, and understanding

scientific article published on 28 February 2008

Reactivity and selectivity in the Wittig reaction: a computational study

scientific article published in February 2006

Reduced dimensionality spin-orbit dynamics of CH3 + HCl ⇌ CH4 + Cl on ab initio surfaces

scientific article

Role of active site residues in promoting cobalt-carbon bond homolysis in adenosylcobalamin-dependent mutases revealed through experiment and computation

scientific article published on 20 December 2013

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?

scientific article published in September 2003

Simplifying iron-phosphine catalysts for cross-coupling reactions

scientific article published on 6 December 2012

Solution behavior of iron(iii) and iron(ii) porphyrins in DMSO and reaction with superoxide. Effect of neighboring positive charge on thermodynamics, kinetics and nature of iron-(su)peroxo product

scientific article published on 01 November 2011

Spin forbidden chemical reactions of transition metal compounds. New ideas and new computational challenges

scientific article published on 01 January 2003

Spin states: discussion of an open problem

scientific article published in January 2013

Spin-Forbidden Ligand Binding to the Ferrous−Heme Group: Ab Initio and DFT Studies

scientific article published on 01 February 2007

Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory

scientific article published on 31 October 2017

Spin-Forbidden Reactivity of Transition Metal Oxo Species: Exploring the Potential Energy Surfaces

scientific article published on 18 February 2020

Spin-forbidden CO ligand recombination in myoglobin

scientific article published on 01 January 2004

Spin-forbidden hydrogen atom transfer reactions in a cobalt biimidazoline system

scholarly article by Virginia W. Manner et al published 2012 in Chemical Science

Spin-forbidden reactions: computational insight into mechanisms and kinetics

article published in 2013

Spin-state changes and reactivity in transition metal chemistry: Reactivity of iron tetracarbonyl

article published in 2009

Strain-induced cleavage of carbon-carbon bonds: bridge rupture reactions of group 8 dicarba[2]metallocenophanes

scientific article published in February 2010

Studies of Carbon Incorporation on the Diamond {100} Surface during Chemical Vapor Deposition using Density Functional Theory

scientific article published on 07 October 2008

Studies on an iron(iii)-peroxo porphyrin. Iron(iii)-peroxo or iron(ii)-superoxo?

scientific article published on 13 January 2010

Substituent effects and the mechanism of alkene metathesis catalyzed by ruthenium dichloride catalysts

scientific article published on 20 July 2005

Superelectrophilic intermediates in nitrogen-directed aromatic borylation

scientific article published on October 2009

Suzuki-Miyaura coupling revisited: an integrated computational study

scientific article published on 01 December 2019

TMEDA in iron-catalyzed Kumada coupling: amine adduct versus homoleptic "ate" complex formation

scientific article published on 21 January 2014

Taking Ockham's razor to enzyme dynamics and catalysis

scientific article

Testing high-level QM/MM methods for modeling enzyme reactions: acetyl-CoA deprotonation in citrate synthase

scientific article published on September 2010

The Dynamics of the Reaction of FeO+ and H2 : A Model for Inorganic Oxidation

The Dynamics of the Reaction of FeO+ and H2 : A Model for Inorganic Oxidation

scientific article published on 21 April 2017

The Newman-Kwart rearrangement of O-aryl thiocarbamates: substantial reduction in reaction temperatures through palladium catalysis

scientific article

The Reductive Elimination of Methane fromansa-Hydrido(methyl)metallocenes of Molybdenum and Tungsten: Application of Hammond’s Postulate to Two-State Reactions

The Study of Reactive Intermediates in Condensed Phases.

scientific article

The coupled-cluster description of electronic structure: perspectives for bioinorganic chemistry

scientific article published on 01 May 2011

The dynamics of formation of HCl products from the reaction of Cl atoms with methanol, ethanol, and dimethyl ether

The effect of coordination of alkanes, Xe and CO2 (η1-OCO) on changes in spin state and reactivity in organometallic chemistry: a combined experimental and theoretical study of the photochemistry of CpMn(CO)3

scientific article published on 01 December 2019

The influence of the ligand chelate effect on iron-amine-catalysed Kumada cross-coupling

scientific article published on 01 October 2016

The ligand effect on the oxidative addition of dioxygen to gold(i)–hydride complexes

article

The photolysis of α-hydroperoxycarbonyls

scientific article published on 21 February 2018

The product branching and dynamics of the reaction of chlorine atoms with methylamine

article

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

scientific article published on 25 August 2004

The reaction of methyl peroxy and hydroxyl radicals as a major source of atmospheric methanol

scientific article

The seventeen- and eighteen-electron metallacarbaboranes [1,1,1-(CO)3-2-Ph-closo-1,2-MnCB9H9]n? (n = 1, 2): a structurally characterized, redox-related pair

scientific article published on 01 August 2003

Theoretical Investigations of the Reactions of N- and O-Containing Species on a C(100):H 2 × 1 Reconstructed Diamond Surface

scientific article

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

article

Three-dimensional kinetic Monte Carlo simulations of diamond chemical vapor deposition

scientific article published in June 2015

Toward Highly Accurate Spin State Energetics in First-Row Transition Metal Complexes: A Combined CASPT2/CC Approach.

scientific article published on 3 April 2018

Trends in predicted chemoselectivity of cytochrome P450 oxidation: B3LYP barrier heights for epoxidation and hydroxylation reactions

scientific article published on 23 June 2014

UV photolysis of 4-iodo-, 4-bromo-, and 4-chlorophenol: competition between C-Y (Y = halogen) and O-H bond fission.

scientific article published in April 2013

Ultrafast energy flow in the wake of solution-phase bimolecular reactions

scientific article published on 25 September 2011

Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled

scientific article published on 22 May 2019

Understanding the determinants of selectivity in drug metabolism through modeling of dextromethorphan oxidation by cytochrome P450.

scientific article

Understanding the kinetics of spin-forbidden chemical reactions

scientific article

Understanding the rate of spin-forbidden thermolysis of HN3 and CH3N3

scientific article published on 01 July 2008

Understanding the reactivity bottleneck in the spin-forbidden reaction FeO++H2→Fe++H2O

Unraveling the mechanism of epoxide formation from sulfur ylides and aldehydes

scientific article published on May 2002

Unraveling the role of protein dynamics in dihydrofolate reductase catalysis

scientific article published on 24 September 2013

Vibrational Energy Relaxation of Deuterium Fluoride in <i>d</i>-Dichloromethane: Insights from Different Potentials

scientific article published on 08 February 2021

Vibrationally Quantum-State-Specific Reaction Dynamics of H Atom Abstraction by CN Radical in Solution

scientific article

When and how do diaminocarbenes dimerize?

scientific article

[(RCN)2PdCl2]-Catalyzed E/Z Isomerization of Alkenes: A Non-Hydride Binuclear Addition-Elimination Pathway

scientific article published on 21 September 2011

nσ* and πσ* excited states in aryl halide photochemistry: a comprehensive study of the UV photodissociation dynamics of iodobenzene

scientific article

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