Intramolecular proton transfer in 2-(2'-hydroxyphenyl)benzoxazole: The reliability of ab initio calculations on simplified structures

Journal of Molecular Structure: THEOCHEM

Volumn 489, Issue 2-3, 1999, Pages 255-262

  Fernandez Ramos A ^a   Rodriguez Otero J ^a   Rios M A ^a   Soto, J ^b  

^a Univ Santiago C   (Spain)

^b UNIVERSITY OF MÁLAGA   (Spain)

Author keywords

Ab initio calculations; CIS calculations; ESIPT; HBO; Intramolecular hydrogen bond; Proton transfer

Indexed keywords

BENZOXAZOLE DERIVATIVE;

ARTICLE; CALCULATION; CHEMICAL ANALYSIS; CHEMICAL STRUCTURE; PROTON TRANSPORT; STRUCTURE ANALYSIS;

EID: 0342274543     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0166-1280(99)00062-7     Document Type: Article

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