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Researcher
Jeremy Harvey
- Disciplines:Physical chemistry, Theoretical and computational chemistry, Other chemical sciences, Biochemistry and metabolism, Medical biochemistry and metabolism, Atmospheric sciences
Affiliations
- Department of Chemistry (Department)
Responsible
From1 Aug 2020 → Today - Quantum Chemistry and Physical Chemistry (Division)
Member
From1 Oct 2014 → Today
Projects
1 - 10 of 22
- Machine learning approaches to accelerate QM/MMFrom16 Aug 2023 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- QM/MM studies of reactivity and dynamics in enzymes and fluorescent proteinsFrom5 Aug 2023 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Exploring excited state dynamics of fluorescent proteins by X-ray free electron laser (XFEL).From1 Jan 2023 → TodayFunding: FWO research project (including WEAVE projects)
- Type III intermediate filaments: molecular structure to understand muscular diseaseFrom1 Jan 2023 → TodayFunding: FWO research project (including WEAVE projects)
- Exploring excited state structural dynamics of fluorescent proteins by using X-ray free electron laser (XFEL) towards advancement of cutting‐edge microscopyFrom1 Oct 2022 → TodayFunding: BOF - projects
- Addressing the computational challenges in mixed-valence multimetallic iron complexes.From1 Oct 2021 → 30 Sep 2022Funding: BOF - postdoctoral mandates
- Prebiotic chemical discovery through quantum chemistryFrom12 May 2021 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Re-evaluating the role of volatile organic compounds through quantum theoretical and modelling studiesFrom11 Jan 2021 → TodayFunding: FED-tWIN
- Development and Application of Computational Modelling Techniques for Enzymatic ProcessesFrom1 Oct 2020 → TodayFunding: Own budget, for example: patrimony, inscription fees, gifts
- Deciphering biochemical molecular signalling by gases via MD simulations and QM/MM calculationsFrom1 Oct 2019 → 30 Sep 2021Funding: BOF - projects
Publications
81 - 90 of 98
- Spin States in Biochemistry and Inorganic Chemistry Influence on Structure and Reactivity Foreword(2016)
Authors: Jeremy Harvey
Pages: XXI - XXINumber of pages: 1 - Dynamical Effects and Product Distributions in Simulated CN plus Methane Reactions(2016)
Authors: Jeremy Harvey
Pages: 4672 - 4682 - Quantum Mechanics/Molecular Mechanics Modeling of Drug Metabolism: Mexiletine N-Hydroxylation by Cytochrome P450 1A2(2016)
Authors: Jeremy Harvey
Pages: 963 - 971 - The Study of Reactive Intermediates in Condensed Phases(2016)
Authors: Jeremy Harvey
Pages: 4695 - 4705 - The influence of the ligand chelate effect on iron-amine-catalysed Kumada cross-coupling(2016)
Authors: Jeremy Harvey
Pages: 15811 - 15817 - Development of Enantiospecific Coupling of Secondary and Tertiary Boronic Esters with Aromatic Compounds(2016)
Authors: Jeremy Harvey
Pages: 9521 - 9532 - A radical rebound mechanism for the methane oxidation reaction promoted by the dicopper center of a pMMO enzyme: a computational perspective(2016)
Authors: Jeremy Harvey
Pages: 2492 - 2504 - Activation of the S(N)2 Reaction by Adjacent pi Systems: The Critical Role of Electrostatic Interactions and of Dissociative Character(2016)
Authors: Jeremy Harvey
Pages: 734 - 737 - Dioxygen insertion into the gold(I)-hydride bond: spin orbit coupling effects in the spotlight for oxidative addition(2016)
Authors: Jeremy Harvey
Pages: 7034 - 7039 - Foreword(2015)
Authors: Jeremy Harvey
Linked dataset
1 - 3 of 3
- Replication Data for: On the origin of cooperativity effects in the formation of self-assembled molecular networks at the liquid/solid interface (Creator)
- Replication Data for: Exploring the Selectivity of Cytochrome P450 for Enhanced Novel Anticancer Agent Synthesis (Creator)
- Replication Data for: Quantifying the Cooperative Process of Molecular Self-Assembly on Surfaces: A Case Study of Isophthalic Acids (Creator)