Molecular modeling of 2-chloro-5-nitrotoluene by quantum chemical calculation for pharmaceutical application

Journal of Chemical and Pharmaceutical Research

Volumn 3, Issue 1, 2011, Pages 597-612

  Anbarasan, P M ^a   Subramanian, M K ^a   Senthilkumar, P ^a   Mohanasundaram, C ^a   Ilangovan, V ^b   Sundaraganesan, N ^c  

^a PERIYAR UNIVERSITY   (India)

^b Tagore Arts College   (India)

^c ANNAMALAI UNIVERSITY   (India)

Author keywords

2 Chloro 5 Nitrotoluene; Geometry and spectral analysis; Quantum chemical calculation

Indexed keywords

ABSORPTION SPECTROSCOPY; DENSITY FUNCTIONAL THEORY; MOLECULAR STRUCTURE; QUANTUM CHEMISTRY; SPECTRUM ANALYSIS;

2-CHLORO-5-NITROTOLUENE; DENSITY-FUNCTIONAL METHODS; ELECTRONIC ABSORPTION SPECTRA; FOURIER TRANSFORM INFRA REDS; FTIR AND FT-RAMAN SPECTRA; PHARMACEUTICAL APPLICATIONS; QUANTUM CHEMICAL CALCULATIONS; THERMODYNAMIC FUNCTIONS;

CALCULATIONS;

EID: 80052805326     PISSN: None     EISSN: 09757384     Source Type: Journal    
DOI: None     Document Type: Article

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