4.6 Article

Challenging chemical concepts through charge density of molecules and crystals

Journal

PHYSICA SCRIPTA
Volume 87, Issue 4, Pages -

Publisher

IOP Publishing Ltd
DOI: 10.1088/0031-8949/87/04/048102

Keywords

-

Funding

  1. Danish National Research Foundation, Center for Materials Crystallography [DNRF93]

Ask authors/readers for more resources

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.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.6
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available