Quantum chemical treatment of nivalenol and its tautomers

Journal of Hazardous Materials

Volumn 153, Issue 1-2, 2008, Pages 329-339

  Türker, Lemi ^a   Gümüş, Selçuk ^a  

^a MIDDLE EAST TECHNICAL UNIVERSITY   (Turkey)

Author keywords

B3LYP; Molecular orbital calculations; Mycotoxin; Nivalenol; PM3; RHF; Tautomerism

Indexed keywords

ALCOHOLS; COMPUTATION THEORY; MOLECULAR STRUCTURE;

MOLECULAR ORBITAL CALCULATIONS; MYCOTOXIN; NIVALENOL; TAUTOMERISM;

QUANTUM CHEMISTRY;

NIVALENOL;

ALCOHOLS; COMPUTATION THEORY; MOLECULAR STRUCTURE; QUANTUM CHEMISTRY;

PHYSICOCHEMICAL PROPERTY; QUANTUM MECHANICS; TOXIN;

ARTICLE; CHEMICAL STRUCTURE; ENERGY COST; INFRARED SPECTROSCOPY; MOLECULE; PHYSICAL CHEMISTRY; QUANTUM CHEMISTRY;

ENVIRONMENTAL POLLUTANTS; ISOMERISM; MODELS, CHEMICAL; MYCOTOXINS; TRICHOTHECENES;

EID: 40949097745     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2007.08.052     Document Type: Article

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