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International Journal of Quantum Chemistry

Volumn 84, Issue 1, 2001, Pages 86-98

Model systems for rod-like polyheteroarylethynylenes

(3) Göller, Andreas a Klemm, E a Egbe, D A M a

a FRIEDRICH SCHILLER UNIVERSITY JENA (Germany)

Author keywords

Density functional method; Molecular dynamics; Molecular mechanics; Polymer; Torsional barrier

Indexed keywords

COMPUTER SIMULATION; ELECTROLUMINESCENCE; FLUORESCENCE; ISOMERIZATION; LIGHT POLARIZATION; MATHEMATICAL MODELS; MOLECULAR DYNAMICS; NONLINEAR OPTICS; PHASE COMPOSITION; PROBABILITY DENSITY FUNCTION; THERMAL EFFECTS;

BENEFICIAL MATERIAL PROPERTIES; BUILDING BLOCK MOLECULES; FLEXIBILITY; FLUORESCENT FRAGMENTS; NONLINEAR OPTICAL HYPERPOLARIZABILITIES; POLYHETEROARYLETHYNYLENES; ROD-LIKE SEGMENTED POLYMERS; TORSIONAL BARRIERS;

POLYOLEFINS;

EID: 0034825003 PISSN: 00207608 EISSN: None Source Type: Journal
DOI: 10.1002/qua.1310 Document Type: Conference Paper

Times cited : (9)

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