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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| Main Authors: | , , , |
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| Language: | English |
| Published: |
Sociedad Chilena de Química
2019
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| Subjects: | |
| Online Access: | http://www.scielo.cl/scielo.php?script=sci_arttext&pid=S0717-97072019000404627 |
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