CHIH-DFT determination of the molecular structure infrared spectra, UV spectra and chemical reactivity of three antitubercular compounds: Rifampicin, isoniazid and pyrazinamide

Journal of Molecular Modeling

Volumn 13, Issue 4, 2007, Pages 505-518

  Favila, Alejandra ^a   Gallo, Marco ^a   Glossman Mitnik, Daniel ^a  

^a PRINATEC   (Mexico)

Author keywords

Chemical active sites; DFT; IR spectra; Isoniazid; Molecular structure; Pyrazinamide; Rifampicin; UV spectra

Indexed keywords

ISONIAZID; PYRAZINAMIDE; RIFAMPICIN; TUBERCULOSTATIC AGENT;

ARTICLE; CHEMICAL MODEL; CHEMICAL REACTION KINETICS; DENSITY FUNCTIONAL THEORY; DIPOLE; DRUG CONFORMATION; DRUG STRUCTURE; ENERGY; HARDNESS; INFRARED RADIATION; IONIZATION; PRIORITY JOURNAL; SOLVATION; ULTRAVIOLET RADIATION;

ANTITUBERCULAR AGENTS; ISONIAZID; PYRAZINAMIDE; RIFAMPIN; SPECTROPHOTOMETRY, INFRARED; SPECTROPHOTOMETRY, ULTRAVIOLET;

MYCOBACTERIUM TUBERCULOSIS;

EID: 33947109543     PISSN: 16102940     EISSN: 09485023     Source Type: Journal    
DOI: 10.1007/s00894-007-0170-2     Document Type: Article

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