Theoretical study of alkali cation-benzene complexes: Potential energy surfaces and binding energies with improved results for rubidium and cesium

Journal of Physical Chemistry A

Volumn 110, Issue 20, 2006, Pages 6563-6570

  Coletti, Cecilia ^a   Re, Nazzareno ^a  

^a UNIVERSITY OF CHIETI   (Italy)

Author keywords

[No Author keywords available]

Indexed keywords

ALKALI METALS; BINDING ENERGY; CESIUM; POSITIVE IONS; POTENTIAL ENERGY; RUBIDIUM;

BOND DISSOCIATION ENERGIES (BDE); ENERGY SURFACES; FORCE FIELDS; QUANTUM CHEMISTRY;

BENZENE;

ALKALI METAL; BENZENE; CATION; CESIUM; ORGANOMETALLIC COMPOUND; RUBIDIUM;

ALGORITHM; ARTICLE; BINDING SITE; CHEMISTRY; QUANTUM THEORY; THEORETICAL MODEL; THERMODYNAMICS;

ALGORITHMS; BENZENE; BINDING SITES; CATIONS; CESIUM; METALS, ALKALI; MODELS, THEORETICAL; ORGANOMETALLIC COMPOUNDS; QUANTUM THEORY; RUBIDIUM; THERMODYNAMICS;

EID: 33745803660     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp060771a     Document Type: Article

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