Ab initio calculations of structural and dynamical properties of poly(p-phenylene) and poly(p-phenylene vinylene)

Physical Review B - Condensed Matter and Materials Physics

Volumn 67, Issue 20, 2003, Pages

  Capaz, R B ^a   Caldas, M J ^b  

^a FEDERAL UNIVERSITY OF RIO DE JANEIRO   (Brazil)

^b UNIVERSITY OF SÃO PAULO   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

POLY(4 PHENYLENE VINYLENE); POLY(4 PHENYLENE); POLYMER; UNCLASSIFIED DRUG;

AB INITIO CALCULATION; ARTICLE; ENERGY; GEOMETRY; MOLECULAR DYNAMICS; SIMULATION; STRUCTURE ANALYSIS; TEMPERATURE DEPENDENCE;

EID: 4243778127     PISSN: 10980121     EISSN: 1550235X     Source Type: Journal    
DOI: 10.1103/PhysRevB.67.205205     Document Type: Article

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