Transport properties of thiophenes: Insights from density-functional theory modeling using dispersion-correcting potentials

Journal of Physical Chemistry C

Volumn 114, Issue 24, 2010, Pages 10952-10961

  McClure, Sean A ^b   Buriak, Jillian M ^a,b   Dilabio, Gino A ^a  

^a NATIONAL RESEARCH COUNCIL CANADA   (Canada)

^b UNIVERSITY OF ALBERTA   (Canada)

Author keywords

[No Author keywords available]

Indexed keywords

DEVICE PERFORMANCE; DISPERSION INTERACTION; ELECTRONIC TRANSPORT; LOW-ENERGY CONFORMATIONS; LOW-ENERGY VIBRATIONS; MINIMUM-ENERGY STRUCTURES; MODELING RESULTS; MOLECULAR LEVELS; OLIGOTHIOPHENES; ORGANIC THIN-FILM DEVICES; RELATIVE POSITIONS; ROOM TEMPERATURE; SPLITTINGS; THERMAL ENERGY RANGE; THIOPHENE MONOMERS;

BINDING ENERGY; DIMERS; DISPERSIONS; MONOMERS; ORGANIC POLYMERS; REACTOR SHIELDING; THIN FILM DEVICES; THIOPHENE; TIME VARYING SYSTEMS; TRANSPORT PROPERTIES; WAVE FUNCTIONS;

DENSITY FUNCTIONAL THEORY;

EID: 77953771808     PISSN: 19327447     EISSN: 19327455     Source Type: Journal    
DOI: 10.1021/jp912122q     Document Type: Article

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