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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
31 - 40 of 98
- Spin-Forbidden Reactivity of Transition Metal Oxo Species: Exploring the Potential Energy Surfaces(2020)
Authors: Jeremy Harvey
Pages: 3080 - 3089 - Non-noble metal catalysis for Cross-coupling reactions: Computational insights(2020)
Authors: Andrea Darù, Jeremy Harvey, Xile HU
- Reductive Cleavage of Azoarene as a Key Step in Nickel-Catalyzed Amidation of Esters with Nitroarenes(2020)
Authors: Jeremy Harvey
Pages: 2845 - 2854 - Structural Phases of Alkanethiolate Self-Assembled Monolayers (C1-12) on Cu[100] by Density Functional Theory(2020)
Authors: Jan-Willem Clerix, Jeremy Harvey, Annelies Delabie
Pages: 3802 - 3811 - Anatomy of On-Surface Synthesized Boroxine Two-Dimensional Polymers(2020)
Authors: Nerea Bilbao, Gaolei ZHAN, Jeremy Harvey, Mark Van der Auweraer, Kunal Mali, Steven De Feyter
Pages: 2354 - 2365 - Iron-Catalyzed Reductive Coupling of Alkyl Iodides with Alkynes To Yield cis-Olefins: Mechanistic Insights from Computation(2020)
Authors: Jeremy Harvey
Pages: 1586 - 1594 - Mechanistic insight into organic and industrial transformations: general discussion(2019)
Authors: Jeremy Harvey
Pages: 282 - 316 - Computational and theoretical approaches for mechanistic understanding: general discussion(2019)
Authors: Jeremy Harvey
Pages: 464 - 488 - Physical methods for mechanistic understanding: general discussion(2019)
Authors: Jeremy Harvey, Tolga Yaman
Pages: 144 - 178 - Suzuki-Miyaura coupling revisited: an integrated computational study(2019)
Authors: Tolga Yaman, Jeremy Harvey
Pages: 425 - 442
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)