Jeremy N Harvey (Jeremy Harvey)

ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 43

Top Venues

Chemistry (Weinheim an der Bergstrasse, Germany)

The journal of physical chemistry. A

Physical chemistry chemical physics : PCCP

Chemical science

KU Leuven

This page only lists publications with an associated author ORCID identifier.

Affiliation History

KU Leuven

Belgium

Professor :: Chemistry

University of Bristol

United Kingdom

Lecturer/Reader/Professor :: Chemistry

HU Jerusalem

Israel

Postdoc :: Fritz Haber Institute

TU Berlin

Germany

Humbolt Fellow / postdoc :: Organische Chemie

Publications

Rene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, Muhammad Shafique, Milica Feldt, Luxuan Guo, Jeremy N Harvey, Robert Pollice, Konrad Koszinowski, Ricardo A Mata
The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum Chemistry. The journal of physical chemistry. A 128 (23) (2024)
Tamara Rinkovec, Demian Kalebic, Wim Dehaen, Stephen Whitelam, Jeremy N Harvey, Steven De Feyter
On the origin of cooperativity effects in the formation of self-assembled molecular networks at the liquid/solid interface. Chemical science 15 (16) (2024)
Neil R McFarlane, Jiangli Gui, Julianna Oláh, Jeremy N Harvey
Gaseous inhibition of the transsulfuration pathway by cystathionine β-synthase. Physical chemistry chemical physics : PCCP 26 (23) (2024)
Neil R McFarlane, Jeremy N Harvey
Exploration of biochemical reactivity with a QM/MM growing string method. Physical chemistry chemical physics : PCCP 26 (7) (2024)
Cosima Stähler, Robby Reynaerts, Tamara Rinkovec, Lander Verstraete, G Henrieke Heideman, Andrea Minoia, Jeremy N Harvey, Kunal S Mali, Steven De Feyter, Ben L Feringa
Highly Ordered Co-Assembly of Bisurea Functionalized Molecular Switches at the Solid-Liquid Interface. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Neil R McFarlane, Jiangli Gui, Julianna Oláh, Jeremy N Harvey
Gaseous inhibition of the transsulfuration pathway by cystathionine β-synthase. Physical chemistry chemical physics : PCCP (2024)
Tamara Rinkovec, Demian Kalebic, Wim Dehaen, Stephen Whitelam, Jeremy N Harvey, Steven De Feyter
On the origin of cooperativity effects in the formation of self-assembled molecular networks at the liquid/solid interface. Chemical science 15 (16) (2024)
Rene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, Muhammad Shafique, Milica Feldt, Luxuan Guo, Jeremy N Harvey, Robert Pollice, Konrad Koszinowski, Ricardo A Mata
The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum Chemistry. The journal of physical chemistry. A 128 (23) (2024)
Rene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, Muhammad Shafique, Milica Feldt, Luxuan Guo, Jeremy N Harvey, Robert Pollice, Konrad Koszinowski, Ricardo A Mata
The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum Chemistry. The journal of physical chemistry. A 128 (23) (2024)
Cosima Stähler, Robby Reynaerts, Tamara Rinkovec, Lander Verstraete, G Henrieke Heideman, Andrea Minoia, Jeremy N Harvey, Kunal S Mali, Steven De Feyter, Ben L Feringa
Highly Ordered Co-Assembly of Bisurea Functionalized Molecular Switches at the Solid-Liquid Interface. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (18) (2024)
Rene Rahrt, Björn Hein-Janke, Kosala N Amarasinghe, Muhammad Shafique, Milica Feldt, Luxuan Guo, Jeremy N Harvey, Robert Pollice, Konrad Koszinowski, Ricardo A Mata
The Fe-MAN Challenge: Ferrates-Microkinetic Assessment of Numerical Quantum Chemistry. The journal of physical chemistry. A (2024)
Neil R McFarlane, Jeremy N Harvey
Exploration of biochemical reactivity with a QM/MM growing string method. Physical chemistry chemical physics : PCCP (2024)
Janko Čivić, Neil R McFarlane, Joleen Masschelein, Jeremy N Harvey
Exploring the selectivity of cytochrome P450 for enhanced novel anticancer agent synthesis. Faraday discussions (2024)
Maarten Konings, Jeremy N Harvey, Jerome Loreau
Machine Learning Representations of the Three Lowest Adiabatic Electronic Potential Energy Surfaces for the ArH 2 + Reactive System. The journal of physical chemistry. A (2023)
Francesc Sabanés Zariquiey, Edgar Jacoby, Ann Vos, Herman W T van Vlijmen, Gary John Tresadern, Jeremy N Harvey
Divide and Conquer. Pocket-Opening Mixed-Solvent Simulations in the Perspective of Docking Virtual Screening Applications for Drug Discovery. Journal of chemical information and modeling 62 (3) (2022)
Anastasia V Lilina, Simon Leekens, Hani M Hashim, Pieter-Jan Vermeire, Jeremy N Harvey, Sergei V Strelkov
Stability profile of vimentin rod domain. Protein science : a publication of the Protein Society 31 (12) (2022)
Stefan Lülf, Luxuan Guo, Tobias Parchomyk, Jeremy N Harvey, Konrad Koszinowski
Microscopic Reactivity of Phenylferrate Ions toward Organyl Halides. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (65) (2022)
Xianjun Xu, Huangdi Feng, Xiaoyong Zhang, Liangliang Song, Luc Van Meervelt, Johan Van der Eycken, Jeremy N Harvey, Erik V Van der Eycken
Pd-Catalyzed Ring Restructuring of Oxazolidines with Alkenes Leading to Fused Polycyclic Indolizines. Organic letters 24 (5) (2022)
Xiaoyong Zhang, Pierre-Louis Lefebvre, Jeremy N Harvey
Effect of solvent motions on the dynamics of the Diels-Alder reaction. Physical chemistry chemical physics : PCCP 24 (2) (2022)
Ahmed M Rozza, Marcell Papp, Neil R McFarlane, Jeremy N Harvey, Julianna Oláh
The Mechanism of Biochemical NO-Sensing: Insights from Computational Chemistry. Chemistry (Weinheim an der Bergstrasse, Germany) 28 (49) (2022)
Carlos Martín-Fernández, Jeremy N Harvey
On the Use of Normalized Metrics for Density Sensitivity Analysis in DFT. The journal of physical chemistry. A 125 (21) (2021)
Xiaoyong Zhang, Saulo A Vázquez, Jeremy N Harvey
Vibrational Energy Relaxation of Deuterium Fluoride in d-Dichloromethane: Insights from Different Potentials. Journal of chemical theory and computation 17 (3) (2021)
Goedele Roos, Jeremy N Harvey
Histidine versus Cysteine-Bearing Heme-Dependent Halogen Peroxidases: Parallels and Differences for Cl- Oxidation. The journal of physical chemistry. B 125 (1) (2020)
Milica Feldt, Carlos Martín-Fernández, Jeremy N Harvey
Energetics of non-heme iron reactivity: can ab initio calculations provide the right answer? Physical chemistry chemical physics : PCCP 22 (41) (2020)
Nerea Bilbao, Cristina Martin, Gaolei Zhan, Marta Martínez-Abadía, Ana Sanz-Matı As, Aurelio Mateo-Alonso, Jeremy N Harvey, Mark Van der Auweraer, Kunal S Mali, Steven De Feyter
Anatomy of On-Surface Synthesized Boroxine Two-Dimensional Polymers. ACS nano 14 (2) (2020)
Damiano Ricciarelli, Leonardo Belpassi, Jeremy N Harvey, Paola Belanzoni
Spin-Forbidden Reactivity of Transition Metal Oxo Species: Exploring the Potential Energy Surfaces. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (14) (2020)
Liangliang Song, Xiaoyong Zhang, Xiao Tang, Luc Van Meervelt, Johan Van der Eycken, Jeremy N Harvey, Erik V Van der Eycken
Ruthenium-catalyzed cascade C-H activation/annulation of N-alkoxybenzamides: reaction development and mechanistic insight. Chemical science 11 (42) (2020)
Milica Feldt, Quan Manh Phung, Kristine Pierloot, Ricardo A Mata, Jeremy N Harvey
Limits of Coupled-Cluster Calculations for Non-Heme Iron Complexes. Journal of chemical theory and computation 15 (2) (2019)
Damiano Ricciarelli, Quan Manh Phung, Leonardo Belpassi, Jeremy N Harvey, Paola Belanzoni
Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled. Inorganic chemistry 58 (11) (2019)
Zbyněk Brůža, Jiří Kratochvíl, Jeremy N Harvey, Lubomír Rulíšek, Lucie Nováková, Jana Maříková, Jiří Kuneš, Pavel Kočovský, Milan Pour
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. Chemistry (Weinheim an der Bergstrasse, Germany) 25 (34) (2019)
Quan Manh Phung, Carlos Martín-Fernández, Jeremy N Harvey, Milica Feldt
Ab Initio Calculations for Spin-Gaps of Non-Heme Iron Complexes. Journal of chemical theory and computation 15 (8) (2019)
Arijit Mukherjee, Ana Sanz-Matias, Gangamallaiah Velpula, Deepali Waghray, Oleksandr Ivasenko, Nerea Bilbao, Jeremy N Harvey, Kunal S Mali, Steven De Feyter
Halogenated building blocks for 2D crystal engineering on solid surfaces: lessons from hydrogen bonding. Chemical science 10 (13) (2019)
Henrik Daver, Andrés G Algarra, Julius Rebek, Jeremy N Harvey, Fahmi Himo
Mixed Explicit-Implicit Solvation Approach for Modeling of Alkane Complexation in Water-Soluble Self-Assembled Capsules. Journal of the American Chemical Society 140 (39) (2018)
Ewa N Szlapa, Jeremy N Harvey
Computational Modelling of Selectivity in Cobalt-Catalyzed Propene Hydroformylation. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (64) (2018)
Quan Manh Phung, Milica Feldt, Jeremy N Harvey, Kristine Pierloot
Toward Highly Accurate Spin State Energetics in First-Row Transition Metal Complexes: A Combined CASPT2/CC Approach. Journal of chemical theory and computation 14 (5) (2018)
Stéphanie Essafi, Jeremy N Harvey
Rates of Molecular Vibrational Energy Transfer in Organic Solutions. The journal of physical chemistry. A 122 (14) (2018)
Kara E Ranaghan, William G Morris, Laura Masgrau, Senthilkumar Kittusamy, Linus O Johannissen, Nigel S Scrutton, Jeremy N Harvey, Frederick R Manby, Adrian J Mulholland
Ab Initio QM/MM Modeling of the Rate-Limiting Proton Transfer Step in the Deamination of Tryptamine by Aromatic Amine Dehydrogenase. The journal of physical chemistry. B 121 (42) (2017)
Henrik Daver, Jeremy N Harvey, Julius Rebek, Fahmi Himo
Quantum Chemical Modeling of Cycloaddition Reaction in a Self-Assembled Capsule. Journal of the American Chemical Society 139 (43) (2017)
Mark W Kelly, Sarah C Halliwell, W Jeff Rodgers, Jason D Pattle, Jeremy N Harvey, Michael N R Ashfold
Theoretical Investigations of the Reactions of N- and O-Containing Species on a C(100):H 2 × 1 Reconstructed Diamond Surface. The journal of physical chemistry. A 121 (9) (2017)
Carlo Alberto Gaggioli, Leonardo Belpassi, Francesco Tarantelli, Jeremy N Harvey, Paola Belanzoni
Spin-Forbidden Reactions: Adiabatic Transition States Using Spin-Orbit Coupled Density Functional Theory. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (20) (2017)
Stéphanie Essafi, David P Tew, Jeremy N Harvey
The Dynamics of the Reaction of FeO+ and H2 : A Model for Inorganic Oxidation. Angewandte Chemie (International ed. in English) 56 (21) (2017)
Balazs Pinter, Artiom Chankisjijev, Paul Geerlings, Jeremy N Harvey, Frank De Proft
Conceptual Insights into DFT Spin-State Energetics of Octahedral Transition-Metal Complexes through a Density Difference Analysis. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (20) (2017)
Maike Bergeler, Hideaki Mizuno, Eduard Fron, Jeremy N Harvey
QM/MM-Based Calculations of Absorption and Emission Spectra of LSSmOrange Variants. The journal of physical chemistry. B 120 (49) (2016)

Jeremy N Harvey.css-eqlu8i{font-size:small;padding-left:4px;} (Jeremy Harvey)

Publication Activity (10 Years)

Top Topics

Top Venues

Jeremy N Harvey (Jeremy Harvey)