Patrick Bultinck

Получаване на мой собствен потребителски профил

Позовавания

	Всички	От 2020
Позовавания	10943	3783
h-индекс	55	32
i10-индекс	180	100

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Публичен достъп

Преглед на всички

81 статии

48 статии

налични

неналични

Въз основа на изисквания при финансирането

Съавтори

Paul W. AyersProfessor of Chemistry & Chemical Biology, McMaster UniversityПотвърден имейл адрес: chemistry.mcmaster.ca
Ramon Carbó-Dorca CarréInstitute of Computational Chemistry Universitat de GironaПотвърден имейл адрес: udg.edu
Sofie Van DammeUgentПотвърден имейл адрес: ugent.be
stijn de baerdemackerUniversity of New BrunswickПотвърден имейл адрес: unb.ca
Stijn FiasPost Doc. Vrije Universiteit BrusselПотвърден имейл адрес: vub.ac.be
Danny VanpouckeQuATOMs group, Institute for Materials Research, Hasselt UniversityПотвърден имейл адрес: UHasselt.be
Guillaume AckePostdoctoral researcher, Ghent UniversityПотвърден имейл адрес: UGent.be
Helen van AggelenPrinceton UniversityПотвърден имейл адрес: princeton.edu
Paul Andrew JohnsonUniversité LavalПотвърден имейл адрес: chm.ulaval.ca
Pratim Kumar ChattarajDistinguished Visiting Professor, Department of Chemistry, Birla Institute of Technology MesraПотвърден имейл адрес: bitmesra.ac.in
Venkatesan SubramanianCSIR - CLRIПотвърден имейл адрес: clri.res.in
Stefaan CottenierGhent UniversityПотвърден имейл адрес: ugent.be
Slavko RadenkovicProfessor, Faculty of Science, University of KragujevacПотвърден имейл адрес: kg.ac.rs
Farnaz Heidar-ZadehAssistant Professor, Department of Chemistry, Queen's University, Kingston, CanadaПотвърден имейл адрес: queensu.ca
Miquel Solà Puig (ORCID: 0000-0002-...University of Girona / Universitat de Girona (GRID grid.5319.e / ROR 01xdxns91)Потвърден имейл адрес: udg.edu
Dr. Debesh R. RoyDepartment of Physics, S. V. National Institute of Technology, SuratПотвърден имейл адрес: phy.svnit.ac.in
Paul PopelierProfessor of Chemical Theory and ComputationПотвърден имейл адрес: manchester.ac.uk
Toon VerstraelenCenter for Molecular Modeling, Ghent UniverstyПотвърден имейл адрес: UGent.be
Katharina BoguslawskiInstitute of Physics, Faculty of Physics, Astronomy and Informatics, Nicolaus Copernicus UniversityПотвърден имейл адрес: fizyka.umk.pl
Henry S. RzepaEmeritus Professor of Computational Chemistry, Imperial College LondonПотвърден имейл адрес: imperial.ac.uk

Следене

Patrick Bultinck

Ghent University - UGent

Потвърден имейл адрес: UGent.be - Начална страница

Quantum Chemistry


Заглавие Сортиране по цитати Сортиране по година Сортиране по заглавие	Позовавания Позовавания	Година
Critical analysis and extension of the Hirshfeld atoms in molecules P Bultinck, C Van Alsenoy, PW Ayers, R Carbó-Dorca The Journal of chemical physics 126 (14), 2007	798	2007
Multicenter bond indices as a new measure of aromaticity in polycyclic aromatic hydrocarbons P Bultinck, R Ponec, S Van Damme Journal of physical organic chemistry 18 (8), 706-718, 2005	490	2005
Computational medicinal chemistry for drug discovery P Bultinck, H De Winter, W Langenaeker, JP Tollenare CRC Press, 2003	257	2003
A new mean-field method suitable for strongly correlated electrons: Computationally facile antisymmetric products of nonorthogonal geminals PA Limacher, PW Ayers, PA Johnson, S De Baerdemacker, D Van Neck, ... Journal of chemical theory and computation 9 (3), 1394-1401, 2013	220	2013
A confidence level algorithm for the determination of absolute configuration using vibrational circular dichroism or Raman optical activity E Debie, E De Gussem, RK Dukor, W Herrebout, LA Nafie, P Bultinck ChemPhysChem 12 (8), 1542-1549, 2011	219	2011
Electron delocalization and aromaticity in linear polyacenes: atoms in molecules multicenter delocalization index P Bultinck, M Rafat, R Ponec, B Van Gheluwe, R Carbo-Dorca, P Popelier The Journal of Physical Chemistry A 110 (24), 7642-7648, 2006	219	2006
Critical thoughts on computing atom condensed Fukui functions P Bultinck, S Fias, C Van Alsenoy, PW Ayers, R Carbó-Dorca The Journal of chemical physics 127 (3), 2007	214	2007
The electronegativity equalization method I: Parametrization and validation for atomic charge calculations P Bultinck, W Langenaeker, P Lahorte, F De Proft, P Geerlings, ... The Journal of Physical Chemistry A 106 (34), 7887-7894, 2002	180	2002
Uniqueness and basis set dependence of iterative Hirshfeld charges P Bultinck, PW Ayers, S Fias, K Tiels, C Van Alsenoy Chemical physics letters 444 (1-3), 205-208, 2007	171	2007
Critical analysis of the local aromaticity concept in polyaromatic hydrocarbons P Bultinck Faraday Discussions 135, 347-365, 2007	169	2007
The electronegativity equalization method II: applicability of different atomic charge schemes P Bultinck, W Langenaeker, P Lahorte, F De Proft, P Geerlings, ... The Journal of Physical Chemistry A 106 (34), 7895-7901, 2002	160	2002
Analyzing toxicity through electrophilicity DR Roy, U Sarkar, PK Chattaraj, A Mitra, J Padmanabhan, ... Molecular diversity 10, 119-131, 2006	151	2006
Information-theoretic approaches to atoms-in-molecules: Hirshfeld family of partitioning schemes F Heidar-Zadeh, PW Ayers, T Verstraelen, I Vinogradov, ... The Journal of Physical Chemistry A 122 (17), 4219-4245, 2017	146	2017
Electrostatic potentials from self-consistent Hirshfeld atomic charges S Van Damme, P Bultinck, S Fias Journal of Chemical Theory and Computation 5 (2), 334-340, 2009	143	2009
Electron delocalization and aromaticity in low-lying excited states of archetypal organic compounds F Feixas, J Vandenbussche, P Bultinck, E Matito, M Solà Physical Chemistry Chemical Physics 13 (46), 20690-20703, 2011	138	2011
Negative Fukui functions: New insights based on electronegativity equalization P Bultinck, R Carbó-Dorca, W Langenaeker © Journal of Chemical Physics, 2003, vol. 118, núm. 10, p. 4349-4356, 2003	137	2003
Efficient description of strongly correlated electrons with mean-field cost K Boguslawski, P Tecmer, PW Ayers, P Bultinck, S De Baerdemacker, ... Physical Review B 89 (20), 201106, 2014	129	2014
Molecular quantum similarity: theory and applications P Bultinck, X Gironés, R Carbó‐Dorcaz Reviews in computational chemistry 21, 127-207, 2005	128	2005
Local aromaticity in polycyclic aromatic hydrocarbons: electron delocalization versus magnetic indices P Bultinck, S Fias, R Ponec Chemistry–A European Journal 12 (34), 8813-8818, 2006	125	2006
Six questions on topology in theoretical chemistry PL Ayers, RJ Boyd, P Bultinck, M Caffarel, R Carbó-Dorca, M Causá, ... Computational and Theoretical Chemistry 1053, 2-16, 2015	120	2015

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