A theoretical study of substitution effects on halogen-π interactions

Molecular Physics

Volumn 112, Issue 8, 2014, Pages 1160-1166

  Esrafili, Mehdi D ^a   Mahdavinia, Gholamreza ^a   Javaheri, Majid ^b   Sobhi, Hamid Reza ^c  

^a UNIVERSITY OF MARAGHEH   (Iran)

^b UNIVERSITY OF TEHRAN   (Iran)

^c PAYAME NOOR UNIVERSITY   (Iran)

Author keywords

ab initio; dispersion; electrostatic potential; halogen bond; SAPT

Indexed keywords

BROMINE; CALCULATIONS; CHLORINE; CHLORINE COMPOUNDS; DISPERSION (WAVES); ELECTROSTATICS; FLUORINE;

AB INITIO; AB INITIO CALCULATIONS; ELECTROSTATIC POTENTIALS; HALOGEN BONDS; INTERACTION ENERGIES; MOLECULAR GEOMETRIES; SAPT; SYMMETRY ADAPTED PERTURBATION THEORY;

COMPLEXATION;

EID: 84899444652     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268976.2013.837535     Document Type: Article

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