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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
- Type III intermediate filaments: molecular structure to understand muscular diseaseFrom1 Jan 2023 → TodayFunding: FWO research project (including WEAVE projects)
- Exploring excited state dynamics of fluorescent proteins by X-ray free electron laser (XFEL).From1 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
41 - 50 of 99
- Suzuki-Miyaura coupling revisited: an integrated computational study(2019)
Authors: Tolga Yaman, Jeremy Harvey
Pages: 425 - 442 - 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(2019)
Authors: Jeremy Harvey
Pages: 86 - 104 - Chemical Mimics of Aspartate-Directed Proteases: Predictive and Strictly Specific Hydrolysis of a Globular Protein at Asp-X Sequence Promoted by Polyoxometalate Complexes Rationalized by a Combined Experimental and Theoretical Approach(2019)
Authors: Paul Proost, Kristine Pierloot, Jeremy Harvey, Tatjana Vogt
Pages: 14370 - 14381 - Ab Initio Calculations for Spin-Gaps of Non-Heme Iron Complexes(2019)
Authors: Jeremy Harvey, Milica Feldt
Pages: 4297 - 4304 - Scope and Challenge of Computational Methods for Studying Mechanism and Reactivity in Homogeneous Catalysis(2019)
Authors: Jeremy Harvey
Pages: 6803 - 6813 - EVB and polarizable MM study of energy relaxation in fluorine-acetonitrile reactions(2019)
Authors: Xiaoyong Zhang, Jeremy Harvey
Pages: 14331 - 14340 - 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(2019)
Authors: Jeremy Harvey
Pages: 8053 - 8060 - Understanding the Reactivity of Mn-Oxo Porphyrins for Substrate Hydroxylation: Theoretical Predictions and Experimental Evidence Reconciled(2019)
Authors: Jeremy Harvey
Pages: 7345 - 7356 - Halogenated building blocks for 2D crystal engineering on solid surfaces: lessons from hydrogen bonding(2019)
Authors: GM Velpula, Oleksandr Ivasenko, Nerea Bilbao, Jeremy Harvey, Kunal Mali, Steven De Feyter
Pages: 3881 - 3891 - Theoretical Investigation of Molecular Self-Assembly in Two Dimensions(2019)
Authors: Ana Sanz Matias, 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)