The structure and binding energies of the van der Waals complexes of Ar and N2 with phenol and its cation, studied by high level ab initio and density functional theory calculations

Journal of Chemical Physics

Volumn 128, Issue 4, 2008, Pages

  Vincent, Mark A ^a   Hillier, Ian H ^a   Morgado, Claudio A ^a   Burton, Neil A ^a   Shan, Xiao ^a  

^a UNIVERSITY OF MANCHESTER   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

BINDING ENERGY; DENSITY FUNCTIONAL THEORY; NITROGEN; PHENOLS; POSITIVE IONS; VAN DER WAALS FORCES;

DISPERSIVE INTERACTIONS; ENERGY STRUCTURES;

ARGON;

ARGON; CATION; HYDROGEN; NITROGEN; OXYGEN; PHENOL;

ALGORITHM; ARTICLE; BINDING SITE; CHEMISTRY; HYDROGEN BOND; QUANTUM THEORY; THERMODYNAMICS;

ALGORITHMS; ARGON; BINDING SITES; CATIONS; HYDROGEN; HYDROGEN BONDING; NITROGEN; OXYGEN; PHENOL; QUANTUM THEORY; THERMODYNAMICS;

EID: 38849158599     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.2828369     Document Type: Article

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