Tuesday 3 February 2015

• F. M. Bickelhaupt: Predictive Catalysis Based on the Activation Strain Model and Quantitative MO Theory(log in to access)
• C. Fonseca Guerra: Structure and Stability of B-DNA and G-DNA. Exploration and Insight from Kohn-Sham MO Theory (log in to access)
• G. Frenking: Two investigations on triple bonds.

Wednesday 4 February 2015

• P. Geerlings: Chemistry from the Linear Response Function (log in to access)
• J. S. Murray and P. Politzer: A Physical Interpretation of Noncovalent Interactions (log in to access)

Thursday 5 February 2015

• A. J. Thakkar: Finding simple patterns is not always simple (recorded)
• M. Solà: Eight rules of aromaticity (recorded)
• H. Rzepa: Emancipating (Chemical) Data for OpenResearch (recorded)

Friday 6 February 2015

• J. Harvey: Understanding Chemical Reaction Mechanisms with Quantum Chemistry
• Jan H. Jensen Quantum Biochemistry: The rise of semi-empirical methods and automation in quantum chemistry

Monday 9 February 2015

• J. Oláh: How to study the reactivity of enzymes? - Practical aspects of QM/MM calculations (recorded)
• A. Savin: Most take things upon trust - Pitfalls of statistics (recorded)
• F. Furche: Computational Photochemistry (recorded)

Tuesday 10 February 2015

• S. Grimme and A. Hansen: ...  Quantum Chemistry for Non-covalent Interactions (log in to access) (extra long session: equivalent of 5 x 90 min real lecture time)

Scientific board

• Prof Ajit J. Thakkar, University of New Brunswick Fredericton, Canada
• Prof F. Matthias Bickelhaupt, VU University Amsterdam, Radboud University Nijmegen, Netherlands
• Prof Célia Fonseca Guerra, VU University Amsterdam, Netherlands
• Dr Hazel Cox, University of Sussex, UK
• Dr Jane S. Murray, Cleve Theo Comp, USA
• Prof Gernot Frenking, Fachbereich Chemie, Germany
• Prof Henry F. Schaefer III, University of Georgia, USA
• Prof Edet F. Archibong, University of Namibia, Republic of Namibia
• Prof Ivan Cernusak, Comenius University, Slovakia
• Prof John Dyke, University of Southampton, UK
• Prof Mark A. Zottola, University of Alabama Birmingham, USA
• Prof Henry Rzepa, Imperial college London, UK

Organizing committee

• Dr Goedele Roos (chairman), General Chemistry (ALGC), Free University Brussels
• Prof Ponnadurai Ramasami, Computational Chemistry Group of the University of Mauritius
• Dr Julianna Oláh, Materials Structure and Modeling research group, Budapest University of Technology and Economics, Hungary

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