For a publication analysis, go to VU Research Portal (Scopus) or publons (Web of Science).
(28) P. Vermeeren ––– "(Astro)Chemistry - From Molecules to Reactions” ––– Vrije Universiteit Amsterdam, 15 February 2022
(27) S. Yu ––– "Cycloaddition Reactions - Design Principles from Quantum Chemical Analyses” ––– Vrije Universiteit Amsterdam, 14 December 2021
(26) L. de Azevedo Santos ––– "Intermolecular Covalent Interactions - A Quantitative Molecular Orbital Perspective” ––– Vrije Universiteit Amsterdam, 2 November 2021 (joint degree: University of Lavras, Brazil).
(25) M. Dalla Tiezza ––– "A Quantitative Kohn–Sham Approach to Elementary Redox Reactions in Artificial, Bio-Inspired and Biological Catalysis” ––– Vrije Universiteit Amsterdam, 20 September 2021 (joint degree: University of Padova).
(24) Z. Boughlala ––– "Cation Affinities throughout the Periodic Table” ––– Vrije Universiteit Amsterdam, 15 October 2020.
(23) A. K. Narsaria ––– "Capturing Lost Photons - Chemical Design Principles to Model Near-Infrared Absorbing Organic Dyes” ––– Vrije Universiteit Amsterdam, 18 June 2020.
(22) S. C. C. van der Lubbe ––– "The Nature of Hydrogen Bonds: Insights from a Kohn-Sham Molecular Orbital Perspective” ––– Vrije Universiteit Amsterdam, 16 September 2019.
(21) J. Z. A. Laloo ––– "Theoretical Studies of Bimolecular Nucleophilic Substitution Reactions” ––– University of Mauritius, Mauritius, 8 October 2019.
(20) F. Zaccaria ––– "G-Quadruplex: A Systematic Investigation on the Interaction of Cations with the Internal Channel site” ––– Vrije Universiteit Amsterdam, 7 October 2019.
(19) X. Sun ––– "Activating Bonds: Rational Design of Iron-Based Catalysts for Cross Coupling” ––– Vrije Universiteit Amsterdam, 16 September 2019.
(18) D. Césario ––– "Insights from a Theoretical Approach on the Weak Intermolecular Forces: the transition from Van Der Waals to Chemical Bond” ––– Vrije Universiteit Amsterdam, 7 May 2019 (double degree: University of Perugia, Italy, 26 February 2019).
(17) M. Bortoli ––– "The Role of Selenium in Glutathione Peroxidase: Insights from Molecular Modeling” ––– Vrije Universiteit Amsterdam, 17 April 2019 (joint degree: University of Padova, Italy)
(16) Renato Orenha ––– "Computational Study of Ruthenium–Nitrosyl Compounds” ––– Vrije Universiteit Amsterdam, 5 October 2017 (double degree: University of São Paulo - Ribeirão Preto, SP, Brazil, 8 May 2017).
(15) J. P. Martinez ––– "Reactivity of Fullerenes, Endohedral Metallofullerenes, and Nanotubes, and their Possible Application in Solar Energy Conversion” ––– Vrije Universiteit Amsterdam, 17 May 2017 (double degree: Universitat de Girona, 18 November 2016).
(14)
L. P. Wolters
Chemical Bonding and
Catalysis: Molecular Orbital Perspectives on Catalyst Design and Halogen Bonds.
Vrije Universiteit, Amsterdam, 22 March 2016.
(13) L. Guillaumes ––– "Analysis of Cooperation and Electron Delocalization in Intermolecular Hydrogen Bonds” ––– Vrije Universiteit Amsterdam, 22 June 2015 (Double Degree Universitat de Girona, 15 June 2015).
(12) B. Zarcycki ––– "Element-Element Bindungsaktivierung an [Ni(iPr2Im)2] und [(η5-C5H5)Co(iPr2Im)]” ––– Julius-Maximilians-Universität Würzburg, 21 March 2013.
(11) H. Kruse ––– "Supramolecular Quantum Chemistry: Application and Development of Methodologies for Large Systems” ––– Westfälische Wilhelms-Universität Münster, 24 August 2012.
(10) K. Seubert ––– "Metallvermittelte Basenpaare mit künstlichen tridentaten und purinabgeleiteten Nukleobasen sowie chimäre metallvermittelte GNA/DNA Basenpaarung” ––– Westfälische Wilhelms-Universität Münster, 15 June 2012.
(9) W.-J. van Zeist
Activating Bonds - Theoretical studies of chemical bonds and their catalytic activation by palladium.
- Open-access version (without Chapters 4, 5, 7, 8)
- Supporting Information: Movies of reactions
Vrije Universiteit Amsterdam, 15 June 2011.
(8) D. A. Megger
Metal-mediated base pairs containing artificial purine-, phenanthroline-, and bis(pyridine)- derived nucleobases
Westfälische Wilhelms-Universität Münster, 26 August 2010.
(7) T. van der Wijst
DFT Calculations on Metal-Nucleobase Complexes
Technische Universität Dortmund, 16 October 2009.
(6) M. A. van Bochove
Nucleophilic Substitution at Phosphorus Centers
Vrije Universiteit Amsterdam, 9 December 2008.
(ISBN: 978-90-9023704-6)
(5) A. P. Bento
Nucleophilic Substitution Reactions - Theoretical Study on the Origin of Reaction Barriers
Vrije Universiteit Amsterdam, 27 October 2008.
(4) S. C. A. H. Pierrefixe
Hypervalence and Aromaticity
Vrije Universiteit Amsterdam, 2 June 2008.
(ISBN: 978-90-8891-0432)
(3) G. Th. de Jong
Theoretical Studies on Catalytic Bond Activation
Vrije Universiteit Amsterdam, 24 April 2007.
(ISBN: 978-90-8659-0872)
(2) A. Diefenbach
Fragment-Oriented Design of Catalysts - A Theoretical Study on Bond Activation
Philipps-Universität, Marburg, 20 December 2000.
(1) C. Fonseca Guerra
Structure and Bonding of DNA - Development and Application of Parallel and Order-N DFT Methods
Vrije Universiteit Amsterdam, 22 February 2000.