Abstracts of the TCTC 2014
Révision datée du 12 novembre 2013 à 20:54 par Jcg (discussion | contributions)
Slides available after the workshop
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Affiliation
Title
Summary
[1] Popelier, P. L. A.; Brémond, É. A. G. Int.J.Quant.Chem. 2009, 109, 2542.
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
==Angel M Pendas
Learning (and teaching) chemical bonding from the statistics of electron populations in spatial domains
Paul Geerlings
Conceptual DFT, Theoretical Models of Chemical Bonding
Eduard Matito
Aromaticity