Structure and reactivity of TNT and related species: Application of spectroscopic approaches and quantum-chemical approximations toward understanding transformation mechanisms

Journal of Hazardous Materials

Volumn 167, Issue 1-3, 2009, Pages 154-163

  Qasim, Mohammad ^a   Gorb, Leonid ^b   Magers, David ^c   Honea, P ^d   Leszczynski, J ^a,e   Moore, Brett ^a,c   Taylor, Lyssa ^a,c   Middleton, Matthew ^a,f  

^a US ARMY ENGINEER RESEARCH AND DEVELOPMENT CENTER   (United States)

^b SpecPro   (United States)

^c MISSISSIPPI COLLEGE   (United States)

^d UNIVERSITY OF MISSISSIPPI SCHOOL OF MEDICINE   (United States)

^e JACKSON STATE UNIVERSITY   (United States)

^f MISSISSIPPI STATE UNIVERSITY   (United States)

Author keywords

Alkali hydrolysis; Free radicals; Nitroaromatics; Oxidative reductive reactions; Photolysis

Indexed keywords

ALKALI HYDROLYSIS; ALKALINE HYDROLYSIS; COMPUTATIONAL CHEMISTRY; ENVIRONMENTAL CONTEXTS; FENTON REACTIONS; FREE RADICAL INITIATORS; MONOCHROMATIC IRRADIATION; NITROAROMATICS; OXIDATIVE/REDUCTIVE REACTIONS; TOXIC POTENTIAL; TRANSFORMATION MECHANISMS;

ALKALINITY; CHEMICAL REACTIVITY; FREE RADICAL REACTIONS; HYDROLYSIS; IRRADIATION; PHOTOLYSIS;

FREE RADICALS;

AROMATIC NITRO COMPOUND; FREE RADICAL; TRINITROTOLUENE;

FORMATION MECHANISM; FREE RADICAL; HYDROLYSIS; IRRADIATION; OXIDATION; PHOTOLYSIS; REACTIVATION; REDUCTION; SPECTROSCOPY; TRANSFORMATION; TRINITROTOLUENE;

ARTICLE; CHEMICAL REACTION KINETICS; CHEMICAL STRUCTURE; CHEMOREACTIVITY; COMBINATORIAL CHEMISTRY; ENVIRONMENTAL FACTOR; FENTON REACTION; HYDROLYSIS; IRRADIATION; OXIDATION REDUCTION REACTION; QUANTUM CHEMISTRY; SPECTROSCOPY;

HYDROLYSIS; MOLECULAR STRUCTURE; QUANTUM THEORY; SPECTRUM ANALYSIS; TRINITROTOLUENE;

EID: 67649398857     PISSN: 03043894     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jhazmat.2008.12.105     Document Type: Article

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