Confirmed Speakers


 

Prof. Avital Shurki (www) Design - insights from VB
Prof.Michelle Coote (www) Electrostatic Catalysis
Prof. Jan Evert Baerends (www) Why are metal surfaces good catalysts? On the role of (relief of) Pauli repulsion for the height of transition barriers
Prof. Helmut Schwarz (www) Single-atom Catalyzed Redox Reactions in the N2O/CO Couple: A Combined Experimental-Computational Approach
Prof. Yirong Mo (www) Activation of Carbon Monoxide by B2(NHCR)2: A Perspective from the Block-Localized Wavefunction Method
Prof Peter Chen (www) Bond strengths in the gas phase, in solution, and in silico:  computational chemistry and experiment diverge
Prof Célia Fonseca Guerra (www) Molecular Recognition from a Kohn-Sham Molecular Orbital Perspective
Prof Martin Head-Gordon (www) Some recent advances in variational energy decomposition analysis
Prof Klaus Ruedenberg (www) Identifying atoms and bonding interactions that are intrinsic to ab initio electronic molecular wave functions
Prof Manuel Yanez (www) Changing the intrinsic reactivity of neutral molecules through the formation of alkaline-earth bonds 
Prof Jeremy Harvey (www) Empirical Valence Bond Models: Insight from Chemical Bonding Analyses
Prof H. Nakatsuji (www) Free Complement (FC) Theory as a General Electronic Structure Theory
Dr P. Su (www) Development of energy decomposition analysis scheme for various molecular interactions