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Researcher
Kristine Pierloot
- Disciplines:Physical chemistry, Theoretical and computational chemistry, Other chemical sciences, Biochemistry and metabolism, Medical biochemistry and metabolism, Atmospheric sciences
Affiliations
- Quantum Chemistry and Physical Chemistry (Division)
Member
From1 Oct 2004 → Today
Projects
1 - 10 of 16
- Mechanistic study of the activation of small molecules with transition metal active sites in zeolitesFrom1 Nov 2020 → 15 Sep 2021Funding: FWO junior postdoctoral fellowship
- Artificial proteases based on polyoxo/hydroxo zirconate clustersFrom1 Oct 2017 → 30 Sep 2020Funding: FWO fellowships
- 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
- Fascinating oxidation chemistry with iron: from active site to catalysis.From1 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)
- Spin-states in metalloproteins and biomimetic systems: the keys to catalysis.From1 Oct 2015 → 30 Sep 2020Funding: BOF - Concerted Research Project from 1994
- The reactive O site in Fe-ZSM-5 as a biomimetic catalyst for hydroxylation reactions: a theoretical insight.From1 Oct 2014 → 29 May 2019Funding: FWO fellowships
- Second-Order Nonlinear Optical Properties of Metal Based Molecular Switches, Bridging Theory and Experiment.From1 Oct 2013 → 9 Jan 2018Funding: FWO fellowships
- Accurate modeling of heme and heme related systems with multiconfigurational wave function methods.From1 Jan 2013 → 31 Dec 2016Funding: FWO research project
- Bifocal Quantum Chemistry.From1 Jan 2013 → 31 Dec 2014Funding: BOF - Concerted Research Project from 1994
Publications
1 - 10 of 79
- On the limits of ab initio and DFT methods for bioinorganic iron models(2021)
Authors: Carlos Martín-Fernández, Jeremy Harvey, Kristine Pierloot
- Spectroscopic Identification of Copper Active Sites in Cu-Zeolites(2021)
Authors: Dieter Plessers, Bert Sels, Kristine Pierloot, Michiel Dusselier
- Mechanism of the highly effective peptide bond hydrolysis by MOF-808 catalyst under biologically relevant conditions(2020)
Authors: Kristine Pierloot, Tatjana Vogt, Jeremy Harvey
Pages: 25136 - 25145 - Advances in the synthesis, characterisation, and mechanistic understanding of active sites in Fezeolites for redox catalysts(2020)
Authors: Max Bols, Kristine Pierloot, Robert Schoonheydt, Bert Sels
Pages: 14749 - 14757 - Electronic Structure of Neutral and Anionic Iron-Nitrosyl Corrole. A Multiconfigurational and Density Matrix Renormalization Group Investigation(2020)
Authors: Kristine Pierloot
Pages: 11493 - 11502 - Modern quantum chemistry with [Open]Molcas(2020)
Authors: Kristine Pierloot
- Glycolaldehyde as a Bio-Based C-2 Platform Chemical: Catalytic Reductive Amination of Vicinal Hydroxyl Aldehydes(2020)
Authors: Kristine Pierloot, Bert Sels
Pages: 391 - 404 - 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 - OpenMolcas: From Source Code to Insight(2019)
Authors: Kristine Pierloot
Pages: 5925 - 5964 - Electronic Structure of N-Bridged High-Valent Diiron-Oxo(2019)
Authors: Kristine Pierloot
Pages: 12491 - 12496