Computer programs:
* TopChem2
Julien Pilmé
Maître de Conférences HDR (Associate
Professor)
Laboratoire de Chimie Théorique. Sorbonne Université
cc 137, 4 place Jussieu. 75252 Paris Cedex 05 (France)
email: julien.pilme@sorbonne-universite.fr
Phone
+33 (0) 1 44 27 96 59
Fax
+33
(0) 1 44 27 41 17
Researcher ID: G-4858-2012
The quantum chemical topology of one-density functions provides a bridge between the Lewis pictures of the chemical bond and first principles quantum-mechanical methodologies. I develop new topological descriptors and some tools/programs in quantum chemical topology, a descriptor being a localization function based on the electron density such as the Electron Localization Function (ELF) or the Molecular Electrostatic Potential (MESP). A broad range of applications in chemistry can be found from astrochemistry to organic and inorganic chemistry.
TopChem2 program can be found here
ANNOUNCEMENT : THEMATIC SCHOOL MODERM 2023
