Researcher
Patrick Bultinck
- Keywords:quantum chemistry, spectroscopy
- Disciplines:Statistical mechanics in chemistry, Theoretical and computational chemistry not elsewhere classified, Quantum chemistry, Physical chemistry not elsewhere classified, (Bio)molecular modelling and design, Molecular physics
Affiliations
- Department of Chemistry (Department)
Responsible
From1 Oct 2018 → Today - Department of Chemistry (Department)
Member
From1 Oct 2018 → Today - Department of Archaeology (Department)
Member
From1 Jun 2017 → 30 Sep 2017 - Department of Chemistry (Department)
Member
From1 Oct 1993 → Today
Projects
1 - 8 of 8
- Making a quantum computer talk chemistry: conceptual open quantum systems as insightful tools for quantum computing approaches to quantum chemistryFrom1 Nov 2023 → TodayFunding: FWO fellowships
- Making a quantum computer talk chemistry: conceptual open quantum systems as insightful tools for quantum computing approaches to quantum chemistryFrom1 Oct 2023 → 31 Oct 2023Funding: BOF - doctoral mandates
- Going against the current: dissecting the Nucleus-Independent Chemical Shift to reveal its fundamental flawsFrom1 Oct 2023 → TodayFunding: BOF - projects
- Discovering chemical rules and concepts using explainable deep learning.From1 Jan 2020 → 31 Dec 2023Funding: FWO research project (including WEAVE projects)
- Theoretical Extensions and Chemical Characterization of Maximum Probability Domains.From1 Oct 2019 → TodayFunding: BOF - projects
- Highly accurate and universally applicable geminals based electronic structure theory.From1 Jan 2017 → 31 Dec 2020Funding: FWO research project (including WEAVE projects)
- Chemical property prediction using spectral-signature Kriging of molecular surface topologyFrom1 Dec 2015 → 30 Nov 2019Funding: BOF - Other initiatives
- Pre-allocated professorship in Quantum ChemistryFrom1 Feb 2013 → 31 Jan 2018Funding: BOF - Research professorship
Publications
31 - 40 of 61
- Heterotrimetallic compounds containing Mo-M-Li [M = K, Rb and Cs] clusters : synthesis, structure, bonding, aromaticity and theoretical investigations of LiU+2082MU+2082 [M = K and Rb] and CsU+2084 rings(2012)
Authors: Dibakar Deb, Soma Duley, Patrick Bultinck, Pratim K Chattaraj, Manish Bhattacharjee
Pages: 15579 - 15592 - Chemistry in solids: extending the Hirshfeld-I method(2012)
Authors: Danny Vanpoucke, Patrick Bultinck, Isabel Van Driessche
Number of pages: 1 - Atomic charges in solids : calculating Hirshfeld-I charges for overlapping atoms from the electron density distribution(2012)
Authors: Danny Vanpoucke, Isabel Van Driessche, Patrick Bultinck
Pages: 14 - 15 - Substituent effects in 1,4-disubstituted benzene and cyclohexadiene : olefinic vs aromatic electron shift pathway of the substituent effect(2012)
Authors: Tadeusz M Krygowski, Michal A Dobrowolski, Michal K Cyranski, Wojciech P Oziminski, Patrick Bultinck
Pages: 36 - 42 - Local aromaticity of the five-membered rings in acenaphthylene derivatives(2012)
Authors: Jelena U+0110urU+0111evic, Patrick Bultinck
Pages: 14067 - 14078 - On induced current density in the perylene/bisanthrene homologous series(2012)
Authors: Patrick Bultinck, Ivan Gutman, Jelena U+0110urU+0111evic
Pages: 151 - 155 - The Hirshfeld-I method : atoms in molecules and chemical bonding perspective(2011)
Authors: Patrick Bultinck
Pages: C85 - C86 - Ring currents in polycyclic sodium clusters(2011)
Authors: Patrick Bultinck
Pages: 34 - 34 - Ring currents in polycyclic sodium clusters(2011)
Authors: Patrick Bultinck
Pages: 12493 - 12502 - On the determination of the stereochemistry of semisynthetic natural product analogues using chiroptical spectroscopy : desulfurization of epidithiodioxopiperazine fungal metabolites(2011)
Authors: Fanny Cherblanc, Ya-Pei Lo, Laura Alcazar-Fuoli, Elaine Bignell, Yanan He, Nadine Chapman-Rothe, Patrick Bultinck, Wouter A Herrebout, Robert Brown, Henry S Rzepa, et al.
Pages: 11868 - 11875