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
 
SNBCP

Parents

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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

Children

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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
Faiza Ahsan grad student 2022-2025 Univ. Girona
Rosa Mollfulleda grad student 2022-2026 Univ. Girona
Athul Santha Bhaskaran grad student 2023-2026 Univ. Girona
Jonnely Luizaga grad student 2023-2026 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
Mursaleem Ansari post-doc 2024-2026 Univ. Girona

Collaborators

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F. Matthias Bickelhaupt collaborator 2004- VU Amsterdam
Maja Gruden collaborator 2011- University of Belgrade
Sílvia Osuna Oliveras collaborator 2012- Univ. Girona
Wesley  R. Browne collaborator 2014- RUG
Isaac Garcia-Bosch collaborator 2016- Carnegie Mellon
Aidan R. McDonald collaborator 2016- Trinity College Dublin
Lawrence Que collaborator 2016- UMN
Christine McKenzie collaborator 2017- University of Southern Denmark
Moniek Tromp collaborator 2017- RUG
Nicole Grobert collaborator 2018- Oxford
BETA: Related publications

Publications

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Unjaroen D, Duijnstee DR, Mancini MDB, et al. (2024) Role of non-redox innocent ligand units in the oxidation of alcohols with HO catalyzed by μ-oxido-diiron(III) bis-phenolato polypyridyl complexes. Journal of Inorganic Biochemistry. 260: 112698
Bhaskaran AS, Romero Del Blanco D, Romero-Rivera A, et al. (2024) Exohedral Diels-Alder Reactivity of Endohedral Metallofullerene C36. Chemistry (Weinheim An Der Bergstrasse, Germany). e202401568
Wu T, Puri A, Qiu YL, et al. (2024) Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H/4e Electron-Coupled-Proton Buffers. Inorganic Chemistry
Inchausti A, Mollfulleda R, Swart M, et al. (2024) Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions. Advanced Science (Weinheim, Baden-Wurttemberg, Germany). e2401293
Chandra B, Ahsan F, Sheng Y, et al. (2024) A tale of two topological isomers: Uptuning [Fe(O)(Mecyclam)] for olefin epoxidation. Proceedings of the National Academy of Sciences of the United States of America. 121: e2319799121
Kumar R, Ahsan F, Awasthi A, et al. (2023) Generation of Ru(III)-hypochlorite with resemblance to the heme-dependent haloperoxidase enzyme. Dalton Transactions (Cambridge, England : 2003)
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
Wu T, Rajabimoghadam K, Puri A, et al. (2022) A 4H/4e Electron-Coupled-Proton Buffer Based on a Mononuclear Cu Complex. Journal of the American Chemical Society
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)
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