Marcel Swart (M Swart)

ResearcherID Scopus Author ID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 43

Top Venues

Journal of the American Chemical Society

Inorganic chemistry

Chemistry (Weinheim an der Bergstrasse, Germany)

Angewandte Chemie (International ed. in English)

Universitat de Girona

This page only lists publications with an associated author ORCID identifier.

Affiliation History

Universitat de Girona Jul 13 2015

Spain

Director IQCC :: IQCC

Universitat de Girona Sep 01 2009

Spain

ICREA Research Professor

ICREA Sep 01 2009

Spain

ICREA Research Professor

ICREA May 01 2006 - Sep 01 2009

Spain

ICREA-Júnior

Publications

Almudena Inchausti, Rosa Mollfulleda, Marcel Swart, Josefina Perles, Santiago Herrero, Valentín G Baonza, Mercedes Taravillo, Alvaro Lobato
Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (25) (2024)
Almudena Inchausti, Rosa Mollfulleda, Marcel Swart, Josefina Perles, Santiago Herrero, Valentín G Baonza, Mercedes Taravillo, Alvaro Lobato
Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions. Advanced science (Weinheim, Baden-Wurttemberg, Germany) (2024)
Tong Wu, Ankita Puri, Yi Lin Qiu, Daniel Ye, Rajdeep Sarma, Yiwen Wang, Tomasz Kowalewski, Maxime A Siegler, Marcel Swart, Isaac Garcia-Bosch
Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H + /4e - Electron-Coupled-Proton Buffers. Inorganic chemistry (2024)
Michael Jirasek, Abhishek Sharma, Jessica R Bame, S Hessam M Mehr, Nicola L Bell, Stuart M Marshall, Cole Mathis, Alasdair MacLeod, Geoffrey J T Cooper, Marcel Swart, Rosa Mollfulleda, Leroy Cronin
Investigating and Quantifying Molecular Complexity Using Assembly Theory and Spectroscopy. ACS central science 10 (5) (2024)
Bittu Chandra, Faiza Ahsan, Yuan Sheng, Marcel Swart, Lawrence Que
A tale of two topological isomers: Uptuning [Fe IV (O)(Me 4 cyclam)] 2+ for olefin epoxidation. Proceedings of the National Academy of Sciences of the United States of America 121 (12) (2024)
Bittu Chandra, Faiza Ahsan, Yuan Sheng, Marcel Swart, Lawrence Que
A tale of two topological isomers: Uptuning [Fe IV (O)(Me 4 cyclam)] 2+ for olefin epoxidation. Proceedings of the National Academy of Sciences of the United States of America 121 (12) (2024)
Tong Wu, Ankita Puri, Yi Lin Qiu, Daniel Ye, Rajdeep Sarma, Yiwen Wang, Tomasz Kowalewski, Maxime A Siegler, Marcel Swart, Isaac Garcia-Bosch
Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H + /4e - Electron-Coupled-Proton Buffers. Inorganic chemistry 63 (20) (2024)
Tong Wu, Ankita Puri, Yi Lin Qiu, Daniel Ye, Rajdeep Sarma, Yiwen Wang, Tomasz Kowalewski, Maxime A Siegler, Marcel Swart, Isaac Garcia-Bosch
Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H + /4e - Electron-Coupled-Proton Buffers. Inorganic chemistry 63 (20) (2024)
Almudena Inchausti, Rosa Mollfulleda, Marcel Swart, Josefina Perles, Santiago Herrero, Valentín G Baonza, Mercedes Taravillo, Alvaro Lobato
Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (25) (2024)
Michael Jirasek, Abhishek Sharma, Jessica R Bame, S Hessam M Mehr, Nicola L Bell, Stuart M Marshall, Cole Mathis, Alasdair MacLeod, Geoffrey J T Cooper, Marcel Swart, Rosa Mollfulleda, Leroy Cronin
Investigating and Quantifying Molecular Complexity Using Assembly Theory and Spectroscopy. ACS central science 10 (5) (2024)
Tong Wu, Ankita Puri, Yi Lin Qiu, Daniel Ye, Rajdeep Sarma, Yiwen Wang, Tomasz Kowalewski, Maxime A Siegler, Marcel Swart, Isaac Garcia-Bosch
Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H + /4e - Electron-Coupled-Proton Buffers. Inorganic chemistry 63 (20) (2024)
Almudena Inchausti, Rosa Mollfulleda, Marcel Swart, Josefina Perles, Santiago Herrero, Valentín G Baonza, Mercedes Taravillo, Alvaro Lobato
Torsion Effects Beyond the δ Bond and the Role of π Metal-Ligand Interactions. Advanced science (Weinheim, Baden-Wurttemberg, Germany) 11 (25) (2024)
Bittu Chandra, Faiza Ahsan, Yuan Sheng, Marcel Swart, Lawrence Que
A tale of two topological isomers: Uptuning [Fe IV (O)(Me 4 cyclam)] 2+ for olefin epoxidation. Proceedings of the National Academy of Sciences of the United States of America 121 (12) (2024)
Mayukh Bhadra, Therese Albert, Alicja Franke, Verena Josef, Ivana Ivanovic-Burmazovic, Marcel Swart, Pierre Moënne-Loccoz, Kenneth D Karlin
Reductive Coupling of Nitric Oxide by Cu(I): Stepwise Formation of Mono- and Dinitrosyl Species En Route to a Cupric Hyponitrite Intermediate. Journal of the American Chemical Society (2023)
Erik Díaz-Cervantes, Juvencio Robles, Miquel Solá, Marcel Swart
The peptide bond rupture mechanism in the serine proteases: an in silico study based on sequential scale models. Physical chemistry chemical physics : PCCP 25 (11) (2023)
Mayukh Bhadra, Therese Albert, Alicja Franke, Verena Josef, Ivana Ivanovic-Burmazovic, Marcel Swart, Pierre Moënne-Loccoz, Kenneth D Karlin
Reductive Coupling of Nitric Oxide by Cu(I): Stepwise Formation of Mono- and Dinitrosyl Species En Route to a Cupric Hyponitrite Intermediate. Journal of the American Chemical Society 145 (4) (2023)
Erik Díaz-Cervantes, Juvencio Robles, Miquel Solá, Marcel Swart
The peptide bond rupture mechanism in the serine proteases: an in silico study based on sequential scale models. Physical chemistry chemical physics : PCCP (2023)
Rakesh Kumar, Faiza Ahsan, Ayushi Awasthi, Marcel Swart, Apparao Draksharapu
Generation of Ru(III)-hypochlorite with resemblance to the heme-dependent haloperoxidase enzyme. Dalton transactions (Cambridge, England : 2003) (2023)
Erik Díaz-Cervantes, Juvencio Robles, Miquel Solá, Marcel Swart
The peptide bond rupture mechanism in the serine proteases: an in silico study based on sequential scale models. Physical chemistry chemical physics : PCCP 25 (11) (2023)
Tong Wu, Khashayar Rajabimoghadam, Ankita Puri, David D Hebert, Yi Lin Qiu, Sidney Eichelberger, Maxime A Siegler, Marcel Swart, Michael P Hendrich, Isaac Garcia-Bosch
A 4H + /4e - Electron-Coupled-Proton Buffer Based on a Mononuclear Cu Complex. Journal of the American Chemical Society 144 (37) (2022)
Charafa Souilah, Sergio Augusto Venturinelli Jannuzzi, Derya Demirbas, Sergei Ivlev, Marcel Swart, Serena DeBeer, Alicia Casitas
Synthesis of Fe III and Fe IV Cyanide Complexes Using Hypervalent Iodine Reagents as Cyano-Transfer One-Electron Oxidants. Angewandte Chemie (International ed. in English) 61 (22) (2022)
Katrin Warm, Alice Paskin, Uwe Kuhlmann, Eckhard Bill, Marcel Swart, Michael Haumann, Holger Dau, Peter Hildebrandt, Kallol Ray
A Pseudotetrahedral Terminal Oxoiron(IV) Complex: Mechanistic Promiscuity in C-H Bond Oxidation Reactions. Angewandte Chemie (International ed. in English) 60 (12) (2021)
Alexander Brinkmeier, Kristian E Dalle, Lorenzo D'Amore, Roland A Schulz, Sebastian Dechert, Serhiy Demeshko, Marcel Swart, Franc Meyer
Modulation of a μ-1,2-Peroxo Dicopper(II) Intermediate by Strong Interaction with Alkali Metal Ions. Journal of the American Chemical Society 143 (42) (2021)
Pascal Vermeeren, Thomas Hansen, Paul Jansen, Marcel Swart, Trevor A Hamlin, Friedrich Matthias Bickelhaupt
A Unified Framework for Understanding Nucleophilicity and Protophilicity in the SN 2/E2 Competition. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (67) (2020)
Olga A Stasyuk, Miquel Solá, Marcel Swart, Célia Fonseca Guerra, Tadeusz Marek Krygowski, Halina Szatylowicz
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 21 (18) (2020)
Lorenzo D'Amore, Leonardo Belpassi, Johannes E M N Klein, Marcel Swart
Spin-resolved charge displacement analysis as an intuitive tool for the evaluation of cPCET and HAT scenarios. Chemical communications (Cambridge, England) 56 (81) (2020)
Dustin Kass, Teresa Corona, Katrin Warm, Beatrice Braun-Cula, Uwe Kuhlmann, Eckhard Bill, Stefan Mebs, Marcel Swart, Holger Dau, Michael Haumann, Peter Hildebrandt, Kallol Ray
Stoichiometric Formation of an Oxoiron(IV) Complex by a Soluble Methane Monooxygenase Type Activation of O2 at an Iron(II)-Cyclam Center. Journal of the American Chemical Society 142 (13) (2020)
Edoardo Apra, Eric J Bylaska, Wibe A de Jong, Niranjan Govind, Karol Kowalski, T P Straatsma, Marat Valiev, H J J van Dam, Yuri Alexeev, J Anchell, V Anisimov, F W Aquino, R Atta-Fynn, Jochen Autschbach, Nicholas P Bauman, J C Becca, D E Bernholdt, K Bhaskaran-Nair, S Bogatko, P Borowski, J Boschen, J Brabec, A Bruner, E Cauët, Y Chen, Gennady N Chuev, Christopher J Cramer, J Daily, M J O Deegan, Thom H Dunning, Michel Dupuis, K G Dyall, G I Fann, S A Fischer, A Fonari, H Früchtl, Soumen Ghosh, J Garza, N Gawande, Soumen Ghosh, K Glaesemann, Andreas W Götz, Jeff R Hammond, Volkhard Helms, E D Hermes, K Hirao, So Hirata, M Jacquelin, Lasse Jensen, B G Johnson, Hannes Jónsson, R A Kendall, M Klemm, Rika Kobayashi, V Konkov, S Krishnamoorthy, M Krishnan, Z Lin, R D Lins, R J Littlefield, Andrew James Logsdail, Kenneth Lopata, W Ma, A V Marenich, Jorge M Del Campo, Daniel Mejía-Rodríguez, J E Moore, J M Mullin, Takahito Nakajima, D R Nascimento, J A Nichols, P J Nichols, J Nieplocha, A Otero-de-la-Roza, B Palmer, Ajay Panyala, Teerapong Pirojsirikul, Bo Peng, Roberto Peverati, J Pittner, L Pollack, Ryan M Richard, P Sadayappan, George C Schatz, W A Shelton, D W Silverstein, D M A Smith, Thereza A Soares, Duo Song, Marcel Swart, H L Taylor, G S Thomas, V Tipparaju, Donald G Truhlar, K Tsemekhman, T Van Voorhis, Á Vázquez-Mayagoitia, Prakash Verma, O Villa, A Vishnu, K D Vogiatzis, Dunyou Wang, J H Weare, Mark J Williamson, T L Windus, K Woliński, A T Wong, Qin Wu, C Yang, Q Yu, M Zacharias, Zhiyong Zhang, Yan Zhao, R J Harrison
NWChem: Past, present, and future. The Journal of chemical physics 152 (18) (2020)
Abril C Castro, Adrian Romero-Rivera, Sílvia Osuna, Kendall N Houk, Marcel Swart
Computational NMR Spectra of o-Benzyne and Stable Guests and Their Hemicarceplexes. Chemistry (Weinheim an der Bergstrasse, Germany) 26 (12) (2020)
Saikat Banerjee, Apparao Draksharapu, Patrick M Crossland, Ruixi Fan, Yisong Guo, Marcel Swart, Lawrence Que
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 142 (9) (2020)
Stepan Stepanović, Matija Zlatar, Marcel Swart, Maja Gruden
The Irony of Manganocene: An Interplay between the Jahn-Teller Effect and Close-Lying Electronic and Spin States. Journal of chemical information and modeling 59 (5) (2019)
Rachel Trammell, Lorenzo D'Amore, Alexandra Cordova, Pavel Polunin, Nan Xie, Maxime A Siegler, Paola Belanzoni, Marcel Swart, Isaac Garcia-Bosch
Directed Hydroxylation of sp2 and sp3 C-H Bonds Using Stoichiometric Amounts of Cu and H2O2. Inorganic chemistry 58 (11) (2019)
Xenia Engelmann, Deesha D Malik, Teresa Corona, Katrin Warm, Erik R Farquhar, Marcel Swart, Wonwoo Nam, Kallol Ray
Trapping of a Highly Reactive Oxoiron(IV) Complex in the Catalytic Epoxidation of Olefins by Hydrogen Peroxide. Angewandte Chemie (International ed. in English) 58 (12) (2019)
Jorn D Steen, Stepan Stepanovic, Mahsa Parvizian, Johannes W de Boer, Ronald Hage, Juan Chen, Marcel Swart, Maja Gruden, Wesley R Browne
Lewis versus Brønsted Acid Activation of a Mn(IV) Catalyst for Alkene Oxidation. Inorganic chemistry 58 (21) (2019)
Khashayar Rajabimoghadam, Yousef Darwish, Umyeena Bashir, Dylan Pitman, Sidney Eichelberger, Maxime A Siegler, Marcel Swart, Isaac Garcia-Bosch
Catalytic Aerobic Oxidation of Alcohols by Copper Complexes Bearing Redox-Active Ligands with Tunable H-Bonding Groups. Journal of the American Chemical Society 140 (48) (2018)
S Stepanović, Davide Angelone, Maja Gruden, Marcel Swart
The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O2. Organic & biomolecular chemistry 15 (37) (2018)
Trevor A Hamlin, Marcel Swart, Friedrich Matthias Bickelhaupt
Nucleophilic Substitution (SN 2): Dependence on Nucleophile, Leaving Group, Central Atom, Substituents, and Solvent. Chemphyschem : a European journal of chemical physics and physical chemistry 19 (11) (2018)
Sandeep K Padamati, Davide Angelone, Apparao Draksharapu, Gloria Primi, David James Martin, Moniek Tromp, Marcel Swart, Wesley R Browne
Transient Formation and Reactivity of a High-Valent Nickel(IV) Oxido Complex. Journal of the American Chemical Society 139 (25) (2017)
Inés Monte Pérez, Xenia Engelmann, Yong-Min Lee, Mi Yoo, Elumalai Kumaran, Erik R Farquhar, Eckhard Bill, Jason England, Wonwoo Nam, Marcel Swart, Kallol Ray
A Highly Reactive Oxoiron(IV) Complex Supported by a Bioinspired N3 O Macrocyclic Ligand. Angewandte Chemie (International ed. in English) 56 (46) (2017)
Filip Vlahovic, Maja Gruden, Marcel Swart
Rotating Iron and Titanium Sandwich Complexes. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (20) (2017)
Daniel F A R Dourado, Marcel Swart, Alexandra T P Carvalho
Why the Flavin Adenine Dinucleotide (FAD) Cofactor Needs To Be Covalently Linked to Complex II of the Electron-Transport Chain for the Conversion of FADH2 into FAD. Chemistry (Weinheim an der Bergstrasse, Germany) 24 (20) (2017)
Marcel Swart, Maja Gruden
Spinning around in Transition-Metal Chemistry. Accounts of chemical research 49 (12) (2016)
Duenpen Unjaroen, Marcel Swart, Wesley R Browne
Electrochemical Polymerization of Iron(III) Polypyridyl Complexes through C-C Coupling of Redox Non-innocent Phenolato Ligands. Inorganic chemistry 56 (1) (2016)

Marcel Swart.css-eqlu8i{font-size:small;padding-left:4px;} (M Swart)

Publication Activity (10 Years)

Top Topics

Top Venues

Marcel Swart (M Swart)