Séminaires

21 pages

2016

Excited-state QM/MM simulations for understanding photodynamics in biological systems

Electronic structure and reactivity of AtO+: gas phase vs. aqueous solution

Site-occupation embedding theory and its extension to quantum chemistry

Adventures in the photophysics of triazole-based complexes

Fast approximations for (TD)-DFT(B)

Lanthanide-based single molecule magnets: First principle considerations