GlobalView

Showing items 1 - 15 of 38.

Add to Quick Collection   All 38 Results

Sort:
 Add All Items to Quick Collection
Date: 2011
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/1051356
Description: This article examines the thermal decomposition of alpha-cypermethrin, one of the most common pyrethroid pesticides. The objective was to identify its decomposition pathways and to gain an understandi... More
Reviewed: Reviewed
Date: 2008
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/39579
Description: Reaction of CHF₃ and CH₄ over CaBr₂ was investigated at 400-900 degrees C as a potential route for transforming the highly potent greenhouse gas, CHF₃, into the valuable product CH₂=CF₂. The homogeneo... More
Reviewed: Reviewed
Date: 2010
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/926669
Description: This study develops the reaction pathway map for the unimolecular decomposition of catechol, a model compound for various structural entities present in biomass, coal, and wood. Reaction rate constant... More
Reviewed: Reviewed
Date: 2008
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/39541
Description: The atmospheric degradation of dibenzofuran (DF) initiated by OH addition has been studied by using density functional theory (B3LYP method). Site C1 in DF is predicted to be the favored site for OH a... More
Reviewed: Reviewed
Date: 2007
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/33953
Description: A density functional theory (DFT) study was carried out to investigate possible reactions of dibenzofuran (DF) and dibenzo-p-dioxin (DD) in a reducing environment. Reaction energies, barrier heights, ... More
Reviewed: Reviewed
Date: 2011
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/936311
Description: This study assessed the emission of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD and PCDF) from captan, a commonly used fungicide, in vapour-phase oxidative pyrolysis unde... More
Reviewed: Reviewed
Date: 2011
Language: eng
Resource Type: conference paper
Identifier: http://hdl.handle.net/1959.13/1035974
Description: This study reports the results of the gas phase oxidation of alpha-cypermethrin, a common insecticide, elucidating the decomposition pathways and formation of toxic species such as polychlorinated dib... More
Full Text: Full Text
Reviewed: Reviewed
Image Thumbnail
Date: 2011
Language: eng
Resource Type: conference paper
Identifier: http://hdl.handle.net/1959.13/1035989
Description: This study presents an investigation into the gas phase thermal decomposition of captafol, a sulfenimide fungicide which consists of a thiotetrachloroethyl (-SCCl2CHCl2) group bo... More
Full Text: Full Text
Reviewed: Reviewed
Image Thumbnail
Date: 2011
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/936308
Description: Phthalimide (PI) and tetrahydrophthalimide (THPI) are two structurally similar compounds extensively used as intermediates for the synthesis of variety of industrial chemicals. This paper investigates... More
Reviewed: Reviewed
Date: 2008
Resource Type: journal article
Identifier: uon:5163
Description: The interaction between a 2-chlorophenol (C₆H₄OHCl) molecule and the Cu(111) surface has been investigated using density functional theory as an initial step in gaining a better understanding of the c... More
Reviewed: Reviewed
Date: 2008
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/43095
Description: Interactions between a 2-chlorophenol molecule and the Cu(100) surface have been analyzed using a first-principles density functional theory (DFT) plane-wave method as the first step in gaining a deta... More
Reviewed: Reviewed
Date: 2011
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/936362
Description: This contribution studies the decomposition of folpet fungicide under oxidative conditions and compares the product species with those of captan fungicide, which is structurally related to folpet. Tox... More
Reviewed: Reviewed
Date: 2010
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/928720
Description: Density functional theory calculations have been performed to study the combined interaction of oxygen and chlorine with the Cu(100) surface. We found the presence of atomic chlorine increases the sta... More
Reviewed: Reviewed
Date: 2007
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/34043
Description: Density functional theory (DFT) calculations have been used to obtain thermochemical parameters for formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/PCDF) from the oxidation of 2... More
Reviewed: Reviewed
Date: 2010
Language: eng
Resource Type: journal article
Identifier: http://hdl.handle.net/1959.13/926672
Description: Semiquinones are persistent free environmental radicals formed as important initial products from the decomposition of dihydroxylated benzene isomers. This study develops detailed decomposition pathwa... More
Reviewed: Reviewed