A density functional study of backbone structures of polydiacetylene: Destabilization of butatriene structure

Chemical Physics

Volumn 306, Issue 1-3, 2004, Pages 191-200

  Katagiri, Hideki ^a   Shimoi, Yukihiro ^a   Abe, Shuji ^a  

^a NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL SCIENCE AND TECHNOLOGY AIST   (Japan)

Author keywords

Conjugated polymer; First principles calculation; Polydiacetylene

Indexed keywords

ACETYLENE DERIVATIVE; POLYDIACETYLENE; UNCLASSIFIED DRUG;

ARTICLE; CHEMICAL STRUCTURE; DENSITY FUNCTIONAL THEORY; STRUCTURE ANALYSIS;

EID: 5644247442     PISSN: 03010104     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.chemphys.2004.07.033     Document Type: Article

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