A novel field of ab initio studies: Complexation of simple anions within neutral cryptands

Journal of Molecular Structure: THEOCHEM

Volumn 717, Issue 1-3, 2005, Pages 215-221

  Johansson, Patrik ^a   Abrahamsson, Erik ^a,b   Jacobsson, Per ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

^b UNIVERSITY OF GOTHENBURG   (Sweden)

Author keywords

Ab initio; Anion; Cryptand; Supramolecular

Indexed keywords

ANION; BORON DERIVATIVE; CHLORIDE ION; CHLORINE DERIVATIVE; FLUORIDE ION; NITROGEN DERIVATIVE;

AB INITIO CALCULATION; ANALYTIC METHOD; ANALYTICAL ERROR; ARTICLE; CHEMICAL INTERACTION; COMPLEX FORMATION; DECOMPOSITION; DENSITY FUNCTIONAL THEORY; ENERGY; MOLECULAR SIZE; POLARIZATION; THEORETICAL MODEL; THERMAL ANALYSIS;

EID: 14844350303     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2004.12.021     Document Type: Article

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