Ab initio and density functional computations of the vibrational spectrum, molecular geometry and some molecular properties of the antidepressant drug sertraline (Zoloft) hydrochloride

Sertraline hydrochloride is a highly potent and selective inhibitor of serotonin (5HT). It is a basic compound of pharmaceutical application for antidepressant treatment (brand name: Zoloft). Ab initio and density functional computations of the vibrational (IR) spectrum, the molecular geometry, the...

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Veröffentlicht in:	Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy Molecular and biomolecular spectroscopy, 2007-02, Vol.66 (2), p.405-412
Hauptverfasser:	Sagdinc, Seda, Kandemirli, Fatma, Bayari, Sevgi Haman
Format:	Artikel
Sprache:	eng
Schlagworte:	Antidepressive Agents - chemistry Computer Simulation DFT and HF calculations IR spectra Models, Molecular Molecular Structure Sertraline - chemistry Sertraline hydrochloride Spectrophotometry, Infrared
Online-Zugang:	Volltext
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