Properties of benzene confined between Two Au(111) surfaces using a combined density functional theory and classical molecular dynamics approach

Journal of Physical Chemistry C

Volumn 115, Issue 30, 2011, Pages 14707-14717

  Johnston, Karen ^a   Harmandaris, Vagelis ^b  

^a MAX PLANCK INSTITUTE FOR POLYMER RESEARCH   (Germany)

^b UNIVERSITY OF CRETE   (Greece)

Author keywords

[No Author keywords available]

Indexed keywords

ADSORPTION ENERGIES; ADSORPTION SITE; ALL-ATOM FORCE FIELD; AU(111) SURFACES; BENZENE MOLECULES; BULK PROPERTIES; CLASSICAL MOLECULAR DYNAMICS APPROACHES; DYNAMICAL PROPERTIES; GOLD SURFACES; MOLECULAR DYNAMICS SIMULATIONS; MOLECULE ORIENTATION; RESEARCH FIELDS; SIMULATION METHODOLOGY;

ADSORPTION; BENZENE; MOLECULAR DYNAMICS; VAN DER WAALS FORCES;

DENSITY FUNCTIONAL THEORY;

EID: 79961038011     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp2003485     Document Type: Article

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