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
21 - 30 of 61
- Tribenzotriquinacene receptors for C60 fullerene rotors : towards C3 symmetrical chiral stators for unidirectionally operating nanoratchets(2014)
Authors: Björn Bredenkötter, Maciej Grzywa, Mohammad Alaghemandi, Rochus Schmid, Wouter Herrebout, Patrick Bultinck, Dirk Volkmer
Pages: 9100 - 9110 - How to compute the Fukui matrix and function for systems with (quasi-)degenerate states(2014)
Authors: Patrick Bultinck, Carlos Cardenas, Patricio Fuentealba, Paul W Ayers
Pages: 202 - 210 - Tetravalent doping of CeO2 : the impact of valence electron character on group IV dopant influence(2014)
Authors: Danny Vanpoucke, Stefaan Cottenier, Veronique Van Speybroeck, Isabel Van Driessche, Patrick Bultinck
Pages: 258 - 266 - Aromaticity of closed-shell charged polybenzenoid hydrocarbons(2013)
Authors: Nicolás Ramos-Berdullas, Patrick Bultinck, Marcos Mandado
Pages: 4679 - 4687 - Reply to 'comment on ''extending Hirshfeld-I to bulk and periodic materials'''(2013)
Authors: Danny Vanpoucke, Isabel Van Driessche, Patrick Bultinck
Pages: 422 - 427 - Extending Hirshfeld-I to bulk and periodic materials(2013)
Authors: Danny Vanpoucke, Patrick Bultinck, Isabel Van Driessche
Pages: 405 - 417 - Atomic charges and the electrostatic potential are ill-defined in degenerate ground states(2013)
Authors: Patrick Bultinck, Carlos Cardenas, Patricio Fuentealba, Paul W Ayers
Pages: 4779 - 4788 - Identification of diastereoisomers using VCD versus ECD and ORD : the stereochemistry of tadalafil(2012)
Authors: Shi Qiu, Wouter Herrebout, Patrick Bultinck, Sergey Sergeyev
Number of pages: 1 - Comparative study of aromaticity in tetraoxa[8]circulenes(2012)
Authors: Ivan Gutman, Patrick Bultinck
Pages: 9421 - 9430 - Blocking channels for electron delocalization: an ab initio BRE?(2012)
Authors: Patrick Bultinck
Number of pages: 1