Molecular structure, Normal Coordinate Analysis, harmonic vibrational frequencies, Natural Bond Orbital, TD-DFT calculations and biological activity analysis of antioxidant drug 7-hydroxycoumarin

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 101, Issue , 2013, Pages 370-381

  Sebastian, S ^a   Sylvestre, S ^b   Jayarajan, D ^c   Amalanathan, M ^d   Oudayakumar, K ^a   Gnanapoongothai, T ^a   Jayavarthanan, T ^a  

^a SRI MANAKULA VINAYAGAR ENGINEERING COLLEGE   (India)

^b Achariya Arts and Science College ^*  (India)

^c Divine Mother College   (India)

^d Annai Velankanni College   (India)

Author keywords

7 Hydroxycoumarin; MEP; Microbial activity; NBO; TD DFT; Vibrational spectra

Indexed keywords

7-HYDROXYCOUMARIN; MEP; MICROBIAL ACTIVITIES; NBO; TD-DFT;

BACILLI; BIOACTIVITY; ESCHERICHIA COLI; HYDROGEN BONDS; MOLECULAR STRUCTURE; QUANTUM THEORY; SALMONELLA; STABILIZATION; VIBRATIONAL SPECTRA;

DENSITY FUNCTIONAL THEORY;

7-HYDROXYCOUMARIN; ANTIINFECTIVE AGENT; ANTIOXIDANT; UMBELLIFERONE; UMBELLIFERONE DERIVATIVE;

ARTICLE; BACTERIAL INFECTION; BACTERIUM; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DRUG EFFECT; HUMAN; INFRARED SPECTROSCOPY; RAMAN SPECTROMETRY; ULTRAVIOLET SPECTROPHOTOMETRY;

ANTI-BACTERIAL AGENTS; ANTIOXIDANTS; BACTERIA; BACTERIAL INFECTIONS; HUMANS; MODELS, MOLECULAR; MOLECULAR CONFORMATION; SPECTROPHOTOMETRY, ULTRAVIOLET; SPECTROSCOPY, FOURIER TRANSFORM INFRARED; SPECTRUM ANALYSIS, RAMAN; UMBELLIFERONES;

EID: 84868252127     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.09.041     Document Type: Article

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