PhD Theses
(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