Experimental and density functional theory and ab initio Hartree-Fock study on the vibrational spectra of 5-chloro-6-(4-chlorobenzoyl)-2-benzothiazolinone molecule

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 72, Issue 4, 2009, Pages 801-810

  Taşal, Erol ^a   Sidir, Isa ^a   Gülseven, Yadigar ^a   Öǧretir, Cemil ^a   Önkol, Tijen ^b  

^a ESKISEHIR OSMANGAZI UNIVERSITY   (Turkey)

^b GAZI UNIVERSITY   (Turkey)

Author keywords

Benzothiazolinone; Conformational stability; DFT; FT IR; HF; NSAIDs

Indexed keywords

CONFORMATIONS; MOLECULAR SPECTROSCOPY; PROBABILITY DENSITY FUNCTION; PROGRAMMING THEORY;

BENZOTHIAZOLINONE; CONFORMATIONAL STABILITY; DFT; FT-IR; HF; NSAIDS;

DENSITY FUNCTIONAL THEORY;

BENZOTHIAZOLE DERIVATIVE; BENZOTHIAZOLINE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; HUMAN; METHODOLOGY; SPECTROSCOPY; THERMODYNAMICS; VIBRATION;

BENZOTHIAZOLES; HUMANS; MOLECULAR CONFORMATION; MOLECULAR STRUCTURE; SPECTRUM ANALYSIS; THERMODYNAMICS; VIBRATION;

EID: 59449084208     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2008.11.023     Document Type: Article

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