(34) C. Nieuwland
Bio(-Inspired) Supramolecular Chemistry: Insights from quantum-chemical bonding analyses
Vrije Universiteit Amsterdam, 26 June 2024
​
(33) B. P. Moloto
Fundamental Palladium Catalyzed Oxidative Addition Reactions
Vrije Universiteit Amsterdam, 16 October 2023 (joint degree: Stellenbosch University, South Africa)
​
(32) P. Vermeeren
(Astro)Chemistry: From Molecules to Reactions
Vrije Universiteit Amsterdam, 15 February 2022
​
(31) S. Yu
Cycloaddition Reactions: Design Principles from Quantum Chemical Analyses
Vrije Universiteit Amsterdam, 14 December 2021
​
(30) D. Rodrigues Silva
Conformation and Bonding: Theoretical Studies on Conformational Effects and Lewis Pair Stability
Vrije Universiteit Amsterdam, 22 November 2021 (joint degree: Universidade Federal de Lavras, Brazil)
​
(29) L. de Azevedo Santos
Intermolecular Covalent Interactions: A Quantitative Molecular Orbital Perspective
Vrije Universiteit Amsterdam, 02 November 2021 (joint degree: Universidade Federal de Lavras, Brazil)
​
(28) 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, Italy)
​
(27) Z. Boughlala
Cation Affinities throughout the Periodic Table
Vrije Universiteit Amsterdam, 15 October 2020
​
(26) Enrico Margiotta
Molecular Modelling of Adenosine Receptors and Halogen Bonds
Vrije Universiteit Amsterdam, 30 April 2020 (joint degree: University of Padova, Italy)
​
(25) A. K. Narsaria
Capturing Lost Photons - Chemical Design Principles to Model Near-Infrared Absorbing Organic Dyes
Vrije Universiteit Amsterdam, 18 June 2020
​
(24) S. C. C. van der Lubbe
The Nature of Hydrogen Bonds: Insights from a Kohn-Sham Molecular Orbital Perspective
Vrije Universiteit Amsterdam, 16 October 2019
​
(23) J. Z. A. Laloo
Theoretical Studies of Bimolecular Nucleophilic Substitution Reactions
University of Mauritius, Mauritius, 8 October 2019
​
(22) F. Zaccaria
Vrije Universiteit Amsterdam, 7 October 2019
​
(21) X. Sun
Activating Bonds: Rational Design of Iron-Based Catalysts for Cross Coupling
Vrije Universiteit Amsterdam, 16 September 2019
​
(20) A. N. Petelski
Characterization of Non-covalent Interactions in Self-assembling Systems
Vrije Universiteit Amsterdam, 8 May 2019 (joint degree: National University of the Northwest, Corrientes, Argentina)
​
(19) D. Césario
Vrije Universiteit Amsterdam, 7 May 2019 (double degree: University of Perugia, Italy, 26 February 2019)
​
(18) 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)
​
(17) F. Jiang
Redox Interconversion between Metal Thiolate and Disulfide Compounds
Leiden University, 7 December 2018
​
(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
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
(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
(3) G. Th. de Jong
Theoretical Studies on Catalytic Bond Activation
Vrije Universiteit Amsterdam, 24 April 2007
(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