The many faces of halogen bonding: A review of theoretical models and methods

Wiley Interdisciplinary Reviews: Computational Molecular Science

Volumn 4, Issue 6, 2014, Pages 523-540

  Wolters, Lando P ^a   Schyman, Patric ^b   Pavan, Mariela J ^c   Jorgensen, William L ^b   Bickelhaupt, F Matthias ^a,d   Kozuch, Sebastian ^e  

^a VU UNIVERSITY AMSTERDAM   (Netherlands)

^b YALE UNIVERSITY   (United States)

^c Radboud University Nijmegen ^*  (United States)

^d RADBOUD UNIVERSITY NIJMEGEN   (Netherlands)

^e UNIVERSITY OF NORTH TEXAS   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CHARGE TRANSFER; CHEMICAL BONDS; COMPUTATION THEORY; DISSOCIATION; ELECTROSTATICS; HALOGEN COMPOUNDS; IONS; LIGANDS; QUANTUM CHEMISTRY; WAVE FUNCTIONS;

CALCULATION SCHEME; ELECTRONIC ANISOTROPY; MOLECULAR MECHANICS METHOD; NON-COVALENT INTERACTION; PROTEIN-LIGAND INTERACTIONS; QUANTUM CHEMICAL EFFECTS; REPULSIVE INTERACTIONS; WAVE FUNCTION THEORY;

DENSITY FUNCTIONAL THEORY;

EID: 84916929623     PISSN: 17590876     EISSN: 17590884     Source Type: Journal    
DOI: 10.1002/wcms.1189     Document Type: Article

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