Université Paul Sabatier - Bat. 3R1b4 - 118 route de Narbonne 31062 Toulouse Cedex 09, France

Accueil > Séminaires > 2019

2019

Ab initio-assisted analysis of paramagnetic NMR : theory and applications

Elizaveta Suturina, Centre for Sustainable Chemical Technologies (CSCT), University of Bath, UK

IRSAMC seminar room (3rd floor Bat. 3R1), Thursday December 12th 2019, 14:00-15:00

Multireference Ground and Excited States using Multiple Hartree-Fock Solutions

Hugh G. A. Burton, Department of Chemistry, University of Cambridge, U.K.

IRSAMC seminar room (3rd floor Bat. 3R1), Thursday October 17th 2019, 14:00-15:00

Modern interdisciplinary software for electronic structure theory

Michael F. Herbst,CERMICS, Ecole des Ponts ParisTech

IRSAMC seminar room (3rd floor Bat. 3R1), Thursday November 21st 2019, 14:00-15:00

Toward a Balanced Description of Weak and Strong Correlation

Peter M. W. Gill, School of Chemistry, University of Sydney, Sydney, Australia

IRSAMC seminar room (3rd floor Bat. 3R1), 10th of October 2019, 14:00-15:00

On the use of theory to model, predict and understand the optical properties of organic and inorganic dyes

Denis Jacquemin, Laboratoire CEISAM, UMR CNRS n.6230, Université de Nantes,

IRSAMC seminar room (3rd floor Bat. 3R1), Mon 8th Apr, 14:00-15:00

Assessment of correlation-exchange functionals to calculate dispersion coefficients.

Alfredo M.J. Sánchez de Merás, Department of Physical Chemistry. University of Valencia.

IRSAMC seminar room (3rd floor Bat. 3R1), Thu 21th Mar, 14:00-15:00

Embedded many-body GW and Bethe-Salpeter formalisms for organic systems

Xavier Blase, Institut Néel, CNRS and University Grenoble Alpes, France.

IRSAMC seminar room (3rd floor Bat. 3R1), Thu 14th Mar, 14:00-15:00

RASCI-PDFT study of intramolecular charge transfer and local excitation in organic fluorescent photoredox catalysts

Davide Presti, University of Minnesota, Minneapolis, USA.

Salle 20 RdC, Jeudi 20 Décembre, 10h - 11h