Cation-π complexes between alkali metal cation and para -halogenophenols. Structures, binding energies and thermodynamic properties: DFT study and CCSD(T) complete basis set limit calculations

Molecular Physics

Volumn 104, Issue 13-14, 2006, Pages 2317-2325

  Zierkiewicz, W ^a   Michalska, D ^a   Cerny J ^b   Hobza, P ^b  

^a WROCLAW UNIVERSITY OF TECHNOLOGY   (Poland)

^b INSTITUTE OF MATHEMATICS   (Czech Republic)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METALS; BINDING ENERGY; ELECTRONIC PROPERTIES; MOLECULAR STRUCTURE; POSITIVE IONS; PROBABILITY DENSITY FUNCTION;

ELECTRON CORRELATION EFFECTS; NATURAL BOND ORBITAL (NBO) ANALYSIS; PARA -HALOGENOPHENOLS;

PHENOLS;

EID: 33745588837     PISSN: 00268976     EISSN: 13623028     Source Type: Journal    
DOI: 10.1080/00268970600652839     Document Type: Article

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