USING MOLECULAR ELECTROSTATIC POTENTIALS AND FRONTIER ORBITALS FOR THE SURFACE-ENHANCED RAMAN INTERPRETATION OF FLUOXETINE

ABSTRACT Raman and surface-enhanced Raman (SERS) spectra of (N-methyl-3-phenyl-3-[4-(trifluoromethyl)phenoxy)propane-1-amine hydrochloride, fluoxetine, have been recorded. Density functional theory with the B3LYP functional was used for optimization of the ground state geometry, calculation of the R...

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Autores principales: Diaz Fleming,Guillermo, Martínez Ortiz,Ursula, Zapata Leon,Freddy, Koch,Rainer
Lenguaje:English
Publicado: Sociedad Chilena de Química 2019
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Acceso en línea:http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072019000404627
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