Semi-empirical calculation and spectroscopic study of protonated poly(p-phenylene benzobisoxazole) models

Polymer

Volumn 45, Issue 26, 2004, Pages 8871-8879

  Feng, Dongdong ^a   Wang, Shanfeng ^a   Zhuang, Qixin ^a   Wu, Pingping ^a   Han, Zhewen ^a  

^a EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY   (China)

Author keywords

Poly(p phenylene benzobisoxazole); Quantum chemistry; UV spectrum

Indexed keywords

ABSORPTION SPECTROSCOPY; COMPUTATIONAL METHODS; LIGHT ABSORPTION; MATHEMATICAL MODELS; ULTRAVIOLET RADIATION;

AUSTIN METHOD 1 (AM1); CONFIGURATION INTERACTION (CI); METHANESULFONIC ACID (MSA); POLY(P-PHENYLENE BENZOBISOXAZOLE) (PBO); PROTONATION EFFECTS; ZERNER'S INTERMEDIATE NEGLECT OF DIFFERENTIAL OVERLAP (ZINDO);

ORGANIC POLYMERS;

BENZOXAZOLE DERIVATIVE; MESYLIC ACID;

ABSORPTION SPECTROSCOPY; ARTICLE; ATOM; CHEMICAL STRUCTURE; EMPIRICISM; GEOMETRY; MATHEMATICAL COMPUTING; MATHEMATICAL MODEL; PREDICTION; PROTON TRANSPORT; REACTION ANALYSIS; SPECTROSCOPY;

POLYMER SCIENCE;

EID: 9244222704     PISSN: 00323861     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.polymer.2004.10.038     Document Type: Article

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