Thermal and solvent effects on the NMR and UV parameters of some bioreductive drugs

Journal of Chemical Physics

Volumn 123, Issue 5, 2005, Pages

  Ramalho, Teodorico C ^a   Taft, Carlton A ^b  

^a Lab 406   (Brazil)

^b CENTRO BRASILEIRO DE PESQUISAS FÍSICAS   (Brazil)

Author keywords

[No Author keywords available]

Indexed keywords

CHEMICAL SHIFTS; GEOMETRY OPTIMIZATION; SOLVENT EFFECTS; WATER MOLECULES;

COMPUTER SIMULATION; ELECTRONIC STRUCTURE; MOLECULAR DYNAMICS; NUCLEAR MAGNETIC RESONANCE; OPTIMIZATION; SOLVENTS; SPECTROSCOPIC ANALYSIS; THERMAL EFFECTS; ULTRAVIOLET RADIATION;

DRUG PRODUCTS;

ANTIPROTOZOAL AGENT; COUMARIC ACID; METRONIDAZOLE; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; COMPUTER SIMULATION; CONFORMATION; ELECTRON; HEAT; METHODOLOGY; NUCLEAR MAGNETIC RESONANCE SPECTROSCOPY; THEORETICAL MODEL; ULTRAVIOLET RADIATION; ULTRAVIOLET SPECTROPHOTOMETRY;

ANTIPROTOZOAL AGENTS; CHEMISTRY, PHARMACEUTICAL; COMPUTER SIMULATION; COUMARIC ACIDS; ELECTRONS; HEAT; MAGNETIC RESONANCE SPECTROSCOPY; METRONIDAZOLE; MODELS, CHEMICAL; MODELS, THEORETICAL; MOLECULAR CONFORMATION; SOLVENTS; SPECTROPHOTOMETRY, ULTRAVIOLET; ULTRAVIOLET RAYS;

EID: 34548108055     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1996577     Document Type: Article

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