What can be learnt on biologically relevant systems from the topological analysis of the electron localization function?

J.-P. Piquemal (1) , J. Pilmé (2) , O. Parisel (1) , H. Gerard (1) , I. Fourré (1) , J. Bergès (1) , C. Gourlaouen (3) , A. de La Lande (1) , C. van Severen (1) , B. Silvi (1)

1 LCT - Laboratoire de chimie théorique
2 LCT - Laboratoire de chimie théorique
3 Laboratoire de Chimie Quantique

Mots clés: Quantum chemistry; topological analysis

Domaines: Chimie; Chimie théorique et/ou physique

J.-P. Piquemal, J. Pilmé, O. Parisel, H. Gerard, I. Fourré, et al.. What can be learnt on biologically relevant systems from the topological analysis of the electron localization function?. International Journal of Quantum Chemistry, 2008, 108 (11), pp.1951-1969. ⟨10.1002/qua.21711⟩. ⟨hal-02126817⟩