Structure and vibrational spectra of 6-(4-fluorobenzoyl)-3-(2-(4- methylpiperazin-1-yl)-2-oxoethyl)benzo[d]thiazol-2(3H)-one molecule

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 96, Issue , 2012, Pages 548-562

  Taşal, Erol ^a   Kumalar, Mustafa ^a  

^a ESKISEHIR OSMANGAZI UNIVERSITY   (Turkey)

Author keywords

Band gap; Conformational stability; DFT; FT IR; HF; PES

Indexed keywords

BASIS SETS; CALCULATED VALUES; CONFORMATIONAL STABILITIES; DFT; FT-IR; FT-IR SPECTRUM; PES; STABLE CONFORMERS; TITLE COMPOUNDS;

ENERGY GAP; HAFNIUM; MOLECULES;

CONFORMATIONS;

BENZOTHIAZOLE DERIVATIVE; PIPERAZINE DERIVATIVE;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; INFRARED SPECTROSCOPY; QUANTUM THEORY; ROTATION; THERMODYNAMICS; VIBRATION;

BENZOTHIAZOLES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PIPERAZINES; QUANTUM THEORY; ROTATION; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; THERMODYNAMICS; VIBRATION;

EID: 84865421907     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.07.060     Document Type: Article

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