DF-DFT-SAPT investigation of the interaction of a water molecule to coronene and dodecabenzocoronene: Implications for the water-graphite interaction

Journal of Physical Chemistry C

Volumn 113, Issue 23, 2009, Pages 10242-10248

  Jenness, Glen R ^a   Jordan, Kenneth D ^a  

^a UNIVERSITY OF PITTSBURGH   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

CORONENE; DENSITY FITTING; ELECTROSTATIC INTERACTIONS; GEOMETRICAL STRUCTURE; GRAPHITE SHEETS; HYDROGEN ATOMS; INTERACTION ENERGIES; RING SYSTEMS; SYMMETRY ADAPTED PERTURBATION THEORY; WATER MOLECULE;

BENZENE; DENSITY FUNCTIONAL THEORY; FLUORESCENCE; GRAPHITE; HYDROGEN; PERTURBATION TECHNIQUES; PROBABILITY DENSITY FUNCTION;

MOLECULES;

EID: 67649946364     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp9015307     Document Type: Article

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