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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
11 - 20 of 22
- ESCHER - Extra-terreStrial prebiotic CHEmistRyFrom1 Oct 2019 → 30 Sep 2023Funding: BOF - projects
- Computational Modelling of Catalytic Reactions in Organometallic ChemistryFrom20 Sep 2019 → 20 Sep 2023Funding: Own budget, for example: patrimony, inscription fees, gifts
- Automation techniques for exploring potential energy surfaces of chemical reactions with quantum chemistryFrom30 Aug 2019 → 21 Dec 2022Funding: Own budget, for example: patrimony, inscription fees, gifts
- Multi-scale Simulations of Dynamics of Chemical ReactionsFrom16 Oct 2017 → 31 Aug 2021Funding: Own budget, for example: patrimony, inscription fees, gifts
- Accurate Computational Studies of Catalytic Reaction Mechanisms and KineticsFrom6 Oct 2017 → 29 Nov 2021Funding: Own budget, for example: patrimony, inscription fees, gifts
- On the limits of ab initio and DFT methods for bioinorganic iron modelsFrom16 Oct 2016 → 29 Sep 2021Funding: Own budget, for example: patrimony, inscription fees, gifts
- Non-noble metal catalysis for Cross-coupling reactions: Computational insightsFrom21 Apr 2016 → 21 Feb 2020Funding: Own budget, for example: patrimony, inscription fees, gifts
- Non-Noble Metal Catalysis: research of the noble metals (Ru, Os, Rh, Ir, Pd, Pt)From1 Jan 2016 → 31 Dec 2019Funding: H2020 - Skills and Career Development (Marie Skłodowska-Curie) actions
- Protein Conformational Complexity and Metalloenzyme Catalysis: A Combined Molecular Dynamics and QM/MM StudyFrom1 Jan 2016 → 31 Dec 2019Funding: FWO research project (including WEAVE projects)
- Insight into the selectivity of metal-substituted polyoxometalates as a novel class of artificial proteases: combined experimental and theoretical approach.From1 Jan 2016 → 31 Dec 2019Funding: FWO research project (including WEAVE projects)
Publications
1 - 10 of 98
- Kinetic modelling of cobalt-catalyzed propene hydroformylation: a combined ab initio and experimental fitting protocol(2024)
Authors: Jeremy Harvey
Pages: 961 - 972 - Exploration of biochemical reactivity with a QM/MM growing string method(2024)
Authors: Neil Rory McFarlane, Jeremy Harvey
Pages: 5999 - 6007 - New ways to explore fundamentals of the formation of self-assembled molecular networks at the liquid-solid interface(2023)
Authors: Steven De Feyter, Jeremy Harvey
- Molecular structure of soluble vimentin tetramers(2023)
Authors: Pieter-Jan Vermeire, Jeremy Harvey, Sergei Strelkov
- Computational mechanistic analysis of a cationic Suzuki-Miyaura reaction without added base(2023)
Authors: Jeremy Harvey
Pages: 984 - 990 - Quantifying the Cooperative Process of Molecular Self-Assembly on Surfaces: A Case Study of Isophthalic Acids(2023)
Authors: Wim Dehaen, Jeremy Harvey, Steven De Feyter
- Automation techniques for exploring potential energy surfaces of chemical reactions with quantum chemistry(2022)
Authors: Pablo Ramos, Jeremy Harvey
- Stability profile of vimentin rod domain(2022)
Authors: Simon Leekens, Pieter-Jan Vermeire, Jeremy Harvey, Sergei Strelkov
- Microscopic Reactivity of Phenylferrate Ions toward Organyl Halides(2022)
Authors: Luxuan Guo, Jeremy Harvey
- Iron-Catalyzed Kumada Cross-Coupling Reaction Involving Fe8Me12- and Related Clusters: A Computational Study(2022)
Authors: Jeremy Harvey
Pages: 12678 - 12688