|
|
On the accurate estimation of intermolecular interactions and charge transfer: the case of TTF-CA
Pilar Garcia
,
Slimane Dahaoui
,
Claudine Katan
,
Mohamed Souhassou
,
Claude Lecomte
et al.
General Meeting on Chemical Concepts from Quantum Mechanics, Sep 2006, Manchester, United Kingdom. pp.217-235, ⟨10.1039/b606642a⟩
Conference papers
hal-00517089v1
|
Share
Gmail
Facebook
Twitter
LinkedIn
More
|
|
|
On the accuracy of intermolecular interactions and charge transfer: the case of TTF-CA
Pilar García
,
Slimane Dahaoui
,
Claudine Katan
,
Mohamed Souhassou
,
Claude Lecomte
et al.
Journal articles
hal-01416922v1
|
Share
Gmail
Facebook
Twitter
LinkedIn
More
|
|
|
Numerical computation of critical properties and atomic basins from three-dimensional grid electron densities
Claudine Katan
,
Philippe Rabiller
,
C. Lecomte
,
Maud Guezo
,
Vincent Oison
et al.
Journal articles
hal-00517099v1
|
Share
Gmail
Facebook
Twitter
LinkedIn
More
|
|
|
Accuracy of topological analysis of gridded electron densities
Philippe Rabiller
,
Mohamed Souhassou
,
Claudine Katan
,
Carlo Gatti
,
Claude Lecomte
et al.
Journal articles
hal-01417558v1
|
Share
Gmail
Facebook
Twitter
LinkedIn
More
|
|
|
Neutral-ionic phase transition: A thorough ab initio study of TTF-CA
Vincent Oison
,
Claudine Katan
,
Philippe Rabiller
,
Mohamed Souhassou
,
Christiane Koenig
et al.
Journal articles
hal-00517856v1
|
Share
Gmail
Facebook
Twitter
LinkedIn
More
|