☰ Chemistry Tree

Marcel Swart, PhD

Affiliations:

Institut de Química Computacional i Catàlisi & Dept. de Química

ICREA Research Professor @ Universitat de Girona

Area:

Theoretical Bio(Inorganic) Chemistry

Website:

http://www.marcelswart.eu

Google:

"Marcel Swart Girona"

Bio:

Up-to-date biography can be found at www.marcelswart.eu/biography.html, and his CV at www.marcelswart.eu/curriculum.html

Mean distance: 9.78

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Parents

Piet van Duijnen	research assistant	1993-1997	RUG
(Undergrad student)
Herman J.C. Berendsen	grad student	1998-2002	RUG
(PhD thesis: 10 Sept. 2002, )
Gerard W. Canters	grad student	1998-2002	Leiden
(PhD thesis: 10 Sept. 2002, )
Jaap G. Snijders	grad student	1998-2002	RUG
(PhD thesis: 10 Sept. 2002, )
Koop Lammertsma	post-doc	2002-2004	VU University, Amsterdam

Children

Mireia Güell Serra	grad student	2007-2009	Univ. Girona
Sílvia Osuna Oliveras	grad student	2006-2010	Univ. Girona
Abril C. Castro	grad student	2013-2017	Univ. Girona
Adrià Romero-Rivera	grad student	2014-2018	Univ. Girona
Stepan Stepanovic	grad student	2014-2018	Univ. Girona
Filip Vlahovic	grad student	2015-2019	Univ. Girona
Lorenzo D'Amore	grad student	2016-2020	Univ. Girona
Miguel Angel María Solano	grad student	2016-2020	Univ. Girona
Frederico Martins	grad student	2019-2023	Univ. Girona
Mikael P. Johansson	post-doc	2010-2013	Univ. Girona
Alexandra TP Carvalho	post-doc	2012-2013	Univ. Girona
Ferran Feixas	post-doc	2014-2017	Univ. Girona
Davide Angelone	post-doc	2016-2017	Univ. Girona

Collaborators

F. Matthias Bickelhaupt	collaborator	2004-	VU Amsterdam
Maja Gruden	collaborator	2011-	University of Belgrade
Wesley R. Browne	collaborator	2014-	RUG

BETA: Related publications

Publications

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Díaz-Cervantes E, Robles J, Solà M, et al. (2023) The peptide bond rupture mechanism in the serine proteases: an study based on sequential scale models. Physical Chemistry Chemical Physics : Pccp. 25: 8043-8049
Brinkmeier A, Dalle KE, D'Amore L, et al. (2021) Modulation of a μ-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions. Journal of the American Chemical Society. 143: 17751-17760
D'Amore L, Belpassi L, Klein JEMN, et al. (2020) Spin-resolved charge displacement analysis as an intuitive tool for the evaluation of cPCET and HAT scenarios. Chemical Communications (Cambridge, England)
Vermeeren P, Hansen T, Jansen P, et al. (2020) A Unified Framework for Understanding Nucleophilicity and Protophilicity in the SN2/E2 Competition. Chemistry (Weinheim An Der Bergstrasse, Germany)
Stasyuk OA, Solà M, Swart M, et al. (2020) Effect of alkali metal cations on length and strength of hydrogen bonds in DNA base pairs. Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
Kass D, Corona T, Warm K, et al. (2020) Stoichiometric formation of an oxoiron(IV) complex by a soluble methane monooxygenase type activation of O at an iron(II)-cyclam centre. Journal of the American Chemical Society
Banerjee S, Draksharapu A, Crossland P, et al. (2020) Sc3+-promoted O-O bond cleavage of a (μ-1,2-peroxo)diiron(III) species formed from an iron(II) precursor and O2 to generate a complex with an FeIV2(μ-O)2 core. Journal of the American Chemical Society
Bortoli M, Bruschi M, Swart M, et al. (2020) Sequential oxidations of phenylchalcogenides by H2O2: insights into the redox behavior of selenium via DFT analysis New Journal of Chemistry. 44: 6724-6731
Swart M. (2020) Bond orders in metalloporphyrins Theoretical Chemistry Accounts. 139: 1-8
Castro AC, Romero‐Rivera A, Osuna S, et al. (2020) Cover Feature: Computational NMR Spectra of o ‐Benzyne and Stable Guests and Their Hemicarceplexes (Chem. Eur. J. 12/2020) Chemistry – a European Journal. 26: 2517-2517

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