Molecular orbital calculations for acid induced ring opening reaction of spiropyran

Dyes and Pigments

Volumn 33, Issue 3, 1997, Pages 229-237

  Shiozaki, Hisayoshi ^a  

^a OSAKA MUNICIPAL TECHNICAL RESEARCH INSTITUTE   (Japan)

Author keywords

Geometry optimization; Molecular orbital calculation; Spiropyran; Tautomerism; Transition state

Indexed keywords

ACIDS; CALCULATIONS; COMPUTER SIMULATION; DYES; ISOMERIZATION; MOLECULAR DYNAMICS; OPTIMIZATION; PHASE TRANSITIONS; RING OPENING POLYMERIZATION; ULTRAVIOLET RADIATION;

GEOMETRY OPTIMIZATION; MOLECULAR ORBITAL CALCULATION; SPIROPYRAN; TAUTOMERISM;

AROMATIC POLYMERS;

EID: 0031084089     PISSN: 01437208     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0143-7208(96)00051-4     Document Type: Article

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