The water-benzene interaction: Insight from electronic structure theories

Journal of Chemical Physics

Volumn 130, Issue 15, 2009, Pages

  Ma, Jie ^a,b   Alf̀, Dario ^b   Michaelides, Angelos ^b   Wang, Enge ^a  

^a INSTITUTE OF PHYSICS   (China)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

CCSD; COUPLED CLUSTERS; ELECTRONIC-STRUCTURE THEORIES; EXCHANGE-CORRELATION FUNCTIONALS; HARTREE-FOCK; HYDROGEN BONDINGS; NON-COVALENT INTERACTIONS; PERTURBATIVE TRIPLE EXCITATIONS; PLESSET PERTURBATION THEORIES; QUANTUM MONTE CARLO; SECOND ORDERS; SHORT DISTANCES; VAN DER WAALS;

BENZENE; BINDING ENERGY; BINDING SITES; DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; HYDROGEN; HYDROGEN BONDS; NUCLEAR ENERGY; POTENTIAL ENERGY; VAN DER WAALS FORCES;

PERTURBATION TECHNIQUES;

BENZENE; WATER;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; CONFORMATION; ELECTRON;

BENZENE; ELECTRONS; MODELS, CHEMICAL; MOLECULAR CONFORMATION; WATER;

EID: 65349094492     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3111035     Document Type: Article

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