Interaction between n-Alkane Chains: Applicability of the Empirically Corrected Density Functional Theory for Van der Waals Complexes

Annick Goursot (1) , Tzonka Mineva (1) , Dahbia Talbi (2) , Ruslan Kevorkyants

1 ICGM ICMMM - Institut Charles Gerhardt Montpellier - Institut de Chimie Moléculaire et des Matériaux de Montpellier
2 GRAAL - Groupe de Recherche en Astronomie et Astrophysique du Languedoc

Domaines: Chimie théorique et/ou physique

Annick Goursot, Tzonka Mineva, Dahbia Talbi, Ruslan Kevorkyants. Interaction between n-Alkane Chains: Applicability of the Empirically Corrected Density Functional Theory for Van der Waals Complexes. Journal of Chemical Theory and Computation, 2007, 3, pp.755. ⟨10.1021/ct600373f⟩. ⟨hal-00340277⟩