Conductivity in polyacetylene. 3. ab initia calculations for a two-site model for electron transfer

Journal of Physical Chemistry

Volumn 100, Issue 15, 1996, Pages 6298-6303

  Rodriguez Monge, Lucia ^a   Larsson, Sven ^a  

^a CHALMERS UNIVERSITY OF TECHNOLOGY   (Sweden)

Author keywords

[No Author keywords available]

Indexed keywords

CALCULATIONS; CONDUCTIVE PLASTICS; ELECTRIC CONDUCTIVITY; ELECTRON TRANSPORT PROPERTIES; MATHEMATICAL MODELS; MOLECULAR DYNAMICS;

AB INITIO METHODS; ELECTRON EXCHANGE; ELECTRONIC FACTOR; POTENTIAL SURFACES; QUANTUM CHEMISTRY; REORGANIZATION ENERGY;

POLYACETYLENES;

EID: 0030121850     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp9528830     Document Type: Article

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