Marcel Swart

9.5k citations

183 papers · 7.9k indexed · 1 hit paper · h-index 49

Impact in

Inorganic Chemistry top 0.5%
- Metal-Catalyzed Oxygenation Mechanisms
Physical and Theoretical Chemistry top 0.5%
- Crystallography and molecular interactions

Papers in

Inorganic Chemistry 66
- Metal-Catalyzed Oxygenation Mechanisms 54
Physical and Theoretical Chemistry 32
- Crystallography and molecular interactions 15

Co-authors: F. Matthias Bickelhaupt Miquel Solà Piet Th. van Duijnen Koop Lammertsma Andreas W. Ehlers Sílvia Osuna Célia Fonseca Guerra J. G. Snijders
Journals: Chemistry - A European Journal (17 papers)Journal of the American Chemical Society (15 papers)Inorganic Chemistry (10 papers)Physical Chemistry Chemical Physics (9 papers)The Journal of Physical Chemistry A (8 papers)
Partner nations: Spain Netherlands United States

In The Last Decade

Marcel Swart

177 papers receiving 7.8k citations

Hit Papers

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Molecular and Atomic Polarizabilities: Thole's Model Revisited 1998 · 473 citations

Peers

Countries citing papers authored by Marcel Swart

Since Specialization

Citations

This map shows the geographic impact of Marcel Swart's research. It shows the number of citations coming from papers published by authors working in each country. You can also color the map by specialization and compare the number of citations received by Marcel Swart with the expected number of citations based on a country's size and research output (numbers larger than one mean the country cites Marcel Swart more than expected).

Fields of papers citing papers by Marcel Swart

Since Specialization

Physical SciencesHealth SciencesLife SciencesSocial Sciences

This network shows the impact of papers produced by Marcel Swart. Nodes represent research fields, and links connect fields that are likely to share authors. Colored nodes show fields that tend to cite the papers produced by Marcel Swart. The network helps show where Marcel Swart may publish in the future.

Co-authorship network

The 25 scholars most cited alongside Marcel Swart, linked wherever they have co-authored with each other. Click a name or a connecting line to browse the papers they share.

Border = papers with Marcel Swart Line = papers co-authored together Marcel Swart links everyone, so they are left out of the graph.

All Works

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20 of 20 papers shown

#	Work
1	A straightforward route to hexagonal-boron nitride fibers Advanced Composites and Hybrid Materials ·Daniel G. Pique, Barbara M. Maciejewska, Arlette Perry, 啓一郎高杉, H. Lyons, Febrianur Ibnu Fitroh Sukono Putro, Mahmoud A. Attallah, Ryan M. Schofield, Samuel J. Page, Ed Darnbrough, Marcel Swart, Andrew S. Weller, Nicole Grobert	2025	0
2	A benchmark study of dioxygen complexes based on coupled cluster and density functional theory Marcel Swart, Fady Elkarak	2024	1
3	Torsion Effects Beyond the δ Bond and the Role of π Metal‐Ligand Interactions Advanced Science ·Cho Yoonae A., Alwi Syahid, Marcel Swart, Josefina Perles, Santiago Herrero, Valentı́n G. Baonza, Mercedes Taravillo, Angelika Ganz	2024	4
4	Tuning the Thermochemistry and Reactivity of a Series of Cu-Based 4H⁺/4e^– Electron-Coupled-Proton Buffers Inorganic Chemistry ·Tong Wu, ESR Silva, Takahisa Hirokawa, Agnes Rohtsalu, A. Harmancix, Vicente Javier Delgado Cisneros, Tomasz Kowalewski, Maxime A. Siegler, Marcel Swart, Isaac Garcia‐Bosch	2024	2
5	The peptide bond rupture mechanism in the serine proteases: an in silico study based on sequential scale models Physical Chemistry Chemical Physics ·Erik Díaz‐Cervantes, Juvencio Robles, Miquel Solà, Marcel Swart	2023	2
6	Spin-resolved charge displacement analysis as an intuitive tool for the evaluation of cPCET and HAT scenarios Chemical Communications ·Lorenzo D’Amore, Leonardo Belpassi, Johannes E. M. N. Klein, Marcel Swart	2020	8
7	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 Fe^IV₂(μ-O)₂ Core Journal of the American Chemical Society ·رضا نوری شادمهانی, Apparao Draksharapu, Pharmacy Education Taskforce Advisory Group, Ruixi Fan, Yisong Guo, Marcel Swart, Lawrence Que	2020	25
8	Four-component relativistic ³¹P NMR calculations for trans-platinum(ii) complexes: importance of the solvent and dynamics in spectral simulations Dalton Transactions ·Abril C. Castro, Heike Fliegl, Michele Cascella, Trygve Helgaker, Michal Repiský, Stanislav Komorovský, B Buttanri, Adoración G. Quiroga, Marcel Swart	2019	17
9	The role of spin states in the catalytic mechanism of the intra- and extradiol cleavage of catechols by O₂ Organic & Biomolecular Chemistry ·S. Stepanović, Davide Angelone, Maja Gruden, Marcel Swart	2017	6
10	Synthesis, characterization, DFT calculation and biological activity of square-planar Ni(II) complexes with tridentate PNO ligands and monodentate pseudohalides. Part II European Journal of Medicinal Chemistry ·Milica R. Milenković, Andrej Pevec, Iztok Turel, Miroslava Vujčić, Marina Milenković, Katarina Jovanović, Nevenka Gligorijević, Siniša Radulović, Marcel Swart, Maja Gruden, Inez Clare Verdoorn, Božidar Čobeljić, Katarina Anđelković	2014	21
11	A Complete Guide on the Influence of Metal Clusters in the Diels–Alder Regioselectivity of I_h‐C₈₀ Endohedral Metallofullerenes Chemistry - A European Journal ·Marc Garcia‐Borràs, Sílvia Osuna, Josep M. Luis, Marcel Swart, Miquel Solà	2013	36
12	Role of Spin State and Ligand Charge in Coordination Patterns in Complexes of 2,6-Diacetylpyridinebis(semioxamazide) with 3d-Block Metal Ions: A Density Functional Theory Study Inorganic Chemistry ·S. Stepanović, 出口裕明, Matija Zlatar, Katarina Andjelković, Maja Gruden, Marcel Swart	2013	15
13	Full Exploration of the Diels–Alder Cycloaddition on Metallofullerenes M₃N@C₈₀ (M=Sc, Lu, Gd): The D_5h versus I_h Isomer and the Influence of the Metal Cluster Chemistry - A European Journal ·Sílvia Osuna, Ramón Valencia, Antonio Rodríguez‐Fortea, Marcel Swart, Miquel Solà, Josep M. Poblet	2012	47
14	Chemical Shifts in Nucleic Acids Studied by Density Functional Theory Calculations and Comparison with Experiment Chemistry - A European Journal ·Judith M. Fonville, Marcel Swart, Kai Zhao, Vladimı́r Sychrovský, Judit E. Šponer, Jiřı́ Šponer, Cornelis W. Hilbers, F. Matthias Bickelhaupt, Sybren S. Wijmenga	2012	50
15	Electrochemical control of the regioselectivity in the exohedral functionalization of C60: the role of aromaticity Chemical Communications ·Marc Garcia‐Borràs, Sílvia Osuna, Marcel Swart, Josep M. Luis, Miquel Solà	2012	43
16	Computational study of the spin-state energies and UV-Visspectra of bis(1,4,7-triazacyclononane) complexes of some first-row transition metal cations Physical Chemistry Chemical Physics ·Matija Zlatar, Maja Gruden, Mireia Güell, Marcel Swart	2012	15
17	A Ditopic Ion‐Pair Receptor Based on Stacked Nucleobase Quartets Angewandte Chemie International Edition ·Tushar van der Wijst, Célia Fonseca Guerra, Marcel Swart, F. Matthias Bickelhaupt, Bernhard Lippert	2009	70
18	Role of the variable active site residues in the function of thioredoxin family oxidoreductases Journal of Computational Chemistry ·Alexandra T. P. Carvalho, Pedro Alexandrino Fernandes, Marcel Swart, Joost N. P. van Stralen, F. Matthias Bickelhaupt, Maria J. Ramos	2008	11
19	Stepwise walden inversion in nucleophilic substitution at phosphorus Physical Chemistry Chemical Physics ·Marc A. van Bochove, Marcel Swart, F. Matthias Bickelhaupt	2008	42
20	π-π stacking tackled with density functional theory Journal of Molecular Modeling ·Marcel Swart, Tushar van der Wijst, Célia Fonseca Guerra, F. Matthias Bickelhaupt	2007	118

About Marcel Swart

Marcel Swart is a scholar working on Inorganic Chemistry, Physical and Theoretical Chemistry, Organic Chemistry, Atomic and Molecular Physics, and Optics and Electronic, Optical and Magnetic Materials, having authored 183 papers that have together received 7.9k indexed citations. Recurring topics across this work include Advanced Chemical Physics Studies (57 papers), Metal-Catalyzed Oxygenation Mechanisms (54 papers), Metal complexes synthesis and properties (32 papers), Magnetism in coordination complexes (25 papers), Porphyrin and Phthalocyanine Chemistry (22 papers), Spectroscopy and Quantum Chemical Studies (21 papers), Fullerene Chemistry and Applications (20 papers) and Crystallography and molecular interactions (15 papers). The work is most often cited by research in Inorganic Chemistry (2.2k citations), Physical and Theoretical Chemistry (1.1k citations), Organic Chemistry (3.0k citations), Atomic and Molecular Physics, and Optics (2.1k citations) and Electronic, Optical and Magnetic Materials (1.2k citations). Marcel Swart has collaborated with scholars based in Spain, Netherlands and United States. Frequent co-authors include F. Matthias Bickelhaupt, Miquel Solà, Piet Th. van Duijnen, Koop Lammertsma, Andreas W. Ehlers, Sílvia Osuna, Célia Fonseca Guerra, J. G. Snijders, Tushar van der Wijst and Josep M. Luis. Their work appears in journals such as Chemistry - A European Journal, Journal of the American Chemical Society, Inorganic Chemistry, Physical Chemistry Chemical Physics and The Journal of Physical Chemistry A.

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