Insights into the strength and nature of carbene⋯halogen bond interactions: A theoretical perspective

Journal of Molecular Modeling

Volumn 19, Issue 6, 2013, Pages 2559-2566

  Esrafili, Mehdi D ^a   Mohammadirad, Nafiseh ^a  

^a UNIVERSITY OF MARAGHEH   (Iran)

Author keywords

hole; DFT; Electrostatic potentials; Halogen bond; Hydrogen bond

Indexed keywords

BROMINE; CARBENE; CARBON; CHLORINE; HALOGEN; IODINE;

ARTICLE; ATOM; COVALENT BOND; DISPERSION; HYDROGEN BOND; MOLECULAR INTERACTION; POLARIZATION; PRIORITY JOURNAL; STATIC ELECTRICITY;

COMPUTER SIMULATION; HALOGENS; METHANE; MODELS, CHEMICAL; MOLECULAR STRUCTURE; STATIC ELECTRICITY; THERMODYNAMICS;

EID: 84878752537     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-013-1804-1     Document Type: Article

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