Abstracts of the TCTC 2014
Révision datée du 12 novembre 2013 à 20:43 par Jcg (discussion | contributions)
Slides available after the workshop
Frontiers in computation
High accuracy methods /Relativistic corrections
Density functional theory
Theoretical spectroscopy / Magnetism
Dynamics
Chemical concepts
- Paul Ayers: "Using molecular properties to define similarity measures and predict chemical properties"
- Jerzy Cioslowski: "Some aspects of Bader’s theory"
- Robert Ponec: "New theoretical methods for the analysis of chemical bonding"
- Patrick Bultinck: "Degenerate states: a challenge to common reactivity descriptors"
- P. Geerlings "Conceptual DFT, Theoretical Models of Chemical Bonding"
- Angel M Pendas "Learning (and teaching) chemical bonding from the statistics of electron populations in spatial domains"
- Eduard Matito "Aromaticity"