Marcel Swart, PhD

Institut de Química Computacional i Catàlisi & Dept. de Química ICREA Research Professor @ Universitat de Girona 
Theoretical Bio(Inorganic) Chemistry
"Marcel Swart Girona"

Up-to-date biography can be found at, and his CV at

Mean distance: 9.78


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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


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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


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