Quantum chemical investigation of attractive non-covalent interactions between halomethanes and rare gases

Journal of Physical Chemistry A

Volumn 116, Issue 43, 2012, Pages 10621-10628

  McAllister, Linda J ^a   Bruce, Duncan W ^a   Karadakov, Peter B ^a  

^a UNIVERSITY OF YORK   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO; BASIS SETS; DENSITY FUNCTIONAL THEORY METHODS; DISPERSION INTERACTION; ELECTRONWITHDRAWING; FUNCTIONALS; GROUP BOUND; HALOGEN BONDS; HALOMETHANES; HOLE INTERACTIONS; INTERACTION STRENGTH; IODOMETHANE; NON-COVALENT INTERACTION; ORBITALS; QUANTUM CHEMICAL INVESTIGATION; RARE GAS; RARE GAS ATOMS;

DENSITY FUNCTIONAL THEORY; HALOGEN COMPOUNDS; IODINE; KRYPTON; MOLECULAR ORBITALS;

COMPLEXATION;

EID: 84868223114     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp307869v     Document Type: Article

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