Calculation of the diffusion coefficient of thiophene oligomers using molecular dynamics

Molecular Simulation

Volumn 38, Issue 11, 2012, Pages 882-885

  Camarada, M B ^a   Olmos Asar, J A ^b   Mariscal, M M ^b   Del Valle, M A ^a  

^a PONTIFICIA UNIVERSIDAD CATÓLICA DE CHILE   (Chile)

^b DEPARTAMENTO DE FISICOQUÍMICA   (Argentina)

Author keywords

conducting polymers; diffusion coefficient; molecular dynamics; thiophene oligomers

Indexed keywords

ACCURATE PREDICTION; ATOMIC SCALE; COMPUTATIONAL COSTS; COMPUTATIONAL SIMULATION; DIFFUSION RATE; DYNAMIC PROPERTY; ELECTROPOLYMERISATION; EXPERIMENTAL VALUES; KINETIC MONTE CARLO; MOLECULAR DYNAMICS SIMULATIONS; OPTICAL AND ELECTRICAL PROPERTIES; THIOPHENE OLIGOMERS;

CONDUCTING POLYMERS; ELECTRIC PROPERTIES; MOLECULAR DYNAMICS; OLIGOMERS; THIOPHENE;

DIFFUSION;

EID: 84865684695     PISSN: 08927022     EISSN: 10290435     Source Type: Journal    
DOI: 10.1080/08927022.2012.664772     Document Type: Article

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