Nature of halogen bonding. A study based on the topological analysis of the Laplacian of the electron charge density and an energy decomposition analysis

Journal of Molecular Modeling

Volumn 19, Issue 5, 2013, Pages 2035-2041

  Duarte, Darío J R ^a   Sosa, Gladis L ^b   Peruchena, Nélida M ^a  

^a UNIVERSIDAD NACIONAL DEL NORDESTE   (Argentina)

^b UNIVERSIDAD TECNOLÓGICA NACIONAL   (Argentina)

Author keywords

AIM; Charge density; Halogen bond; Laplacian; hole

Indexed keywords

AMMONIA; CHLORINE; HALOGEN; LEWIS BASE; NITROGEN;

ARTICLE; ATOM; CALCULATION; CHEMICAL BINDING; DECOMPOSITION; DENSITY; ELECTROCHEMICAL ANALYSIS; ELECTRON; ELECTRON TRANSPORT; GEOMETRY; MOLECULAR INTERACTION; PRIORITY JOURNAL; STATIC ELECTRICITY; THEORY;

EID: 84880805839     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-012-1624-8     Document Type: Article

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