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Ph.D. Theses Supervised

(12) B. Zarcycki
Element-Element Bindungsaktivierung an [Ni(iPr₂Im)₂] und [(η⁵-C₅H₅)Co(iPr₂Im)].
Julius-Maximilians-Universität Würzburg, 21 March 2013.

• Promotor: U. Radius
• Co-Promotor: F. M. Bickelhaupt

(11) H. Kruse
Supramolecular Quantum Chemistry: Application and Development of Methodologies for Large Systems.
Westfälische Wilhelms-Universität Münster, 24 August 2012.

• Promotor: S. Grimme
• Co-Promotor: F. M. Bickelhaupt

(10) K. Seubert
Metallvermittelte Basenpaare mit künstlichen tridentaten und purinabgeleiteten Nukleobasen sowie chimäre metallvermittelte GNA/DNA Basenpaarung.
Westfälische Wilhelms-Universität Münster, 15 June 2012.

• Promotor: J. Müller
• Co-Promotor: F. M. Bickelhaupt

(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.

• Promotor: F. M. Bickelhaupt

(8) D. A. Megger
Metal-mediated base pairs containing artificial purine-, phenanthroline-, and bis(pyridine)- derived nucleobases
Westfälische Wilhelms-Universität Münster, 26 August 2010.

• Promotor: J. Müller
• Co-Promotor: F. M. Bickelhaupt

(7) T. van der Wijst
DFT Calculations on Metal-Nucleobase Complexes
Technische Universität Dortmund, 16 October 2009.

• Promotor: B. Lippert
• Co-Promotor: F. M. Bickelhaupt

(6) M. A. van Bochove
Nucleophilic Substitution at Phosphorus Centers
Vrije Universiteit, Amsterdam, 9 December 2008.
(ISBN: 978-90-9023704-6)

• Promotor: E. J. Baerends
• Co-Promotor: F. M. Bickelhaupt

(5) A. P. Bento
Nucleophilic Substitution Reactions - Theoretical Study on the Origin of Reaction Barriers
Vrije Universiteit, Amsterdam, 27 October 2008.

• Promotor: E. J. Baerends
• Co-Promotor: F. M. Bickelhaupt

(4) S. C. A. H. Pierrefixe
Hypervalence and Aromaticity
Vrije Universiteit, Amsterdam, 2 June 2008.
(ISBN: 978-90-8891-0432)

• Promotor: E. J. Baerends
• Co-Promotor: F. M. Bickelhaupt

(3) G. Th. de Jong
Theoretical Studies on Catalytic Bond Activation
Vrije Universiteit, Amsterdam, 24 April 2007.
(ISBN: 978-90-8659-0872)

• Promotor: E. J. Baerends
• Co-Promotor: F. M. Bickelhaupt

(2) A. Diefenbach
Fragment-Oriented Design of Catalysts - A Theoretical Study on Bond Activation
Philipps-Universität, Marburg, 20 December 2000.

• Promotor: G. Frenking
• Co-Promotor: F. M. Bickelhaupt

(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.

• Promotores: J. G. Snijders, E. J. Baerends
• Co-Promotor: F. M. Bickelhaupt