Semiclassical molecular dynamics simulations of intramolecular proton transfer in photoexcited 2-(2′-hydroxyphenyl)-oxazole

Journal of Chemical Physics

Volumn 113, Issue 21, 2000, Pages 9510-9522

  Guallar, Victor ^a   Batista, Victor S ^a   Miller, William H ^a  

^a UNIVERSITY OF CALIFORNIA   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; DEGREES OF FREEDOM (MECHANICS); ELECTRONIC DENSITY OF STATES; MOLECULAR STRUCTURE; MOLECULAR VIBRATIONS; PROTONS; QUANTUM THEORY; SUBSTITUTION REACTIONS;

EXCITED STATE INTRAMOLECULAR PROTON TRANSFER; KETOENOLIC TAUTOMERIZATION REACTION; PHOTOEXCITED HYDROXYPHENYL OXAZOLE; QUANTUM CHEMISTRY;

MOLECULAR DYNAMICS;

EID: 0034511592     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1321049     Document Type: Article

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