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Challenging chemical concepts through charge density of molecules and crystals

Articolo
Data di Pubblicazione:
2013
Abstract:
Narrating my scientific career, I show in this paper how, starting as a computational and theoretical chemist, I got naturally involved with x-ray crystallographers because of the common interest in charge density and in the study of chemical bonds based on such an observable. The tools I devised and the conceptual developments I made to facilitate a profitable encounter between x-ray charge density and computational chemistry researchers are illustrated, with a special focus on the proposal and applications of the Source Function concept.
Tipologia CRIS:
01.01 Articolo in rivista
Elenco autori:
Gatti, CARLO EDOARDO
Link alla scheda completa:
https://iris.cnr.it/handle/20.500.14243/172702
Pubblicato in:
PHYSICA SCRIPTA (PRINT)
Journal
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