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2-chlorophenol adsorption on Cu(100): first-principles density functional study

A DFT study on the self-coupling reactions of the three isomeric semiquinone radicals

A first-principles density functional study of chlorophenol adsorption on Cu₂O(110):CuO

A mechanistic and kinetic study on the decomposition of morpholine

A mechanistic and kinetic study on the formation of PBDD/Fs from PBDEs

A theoretical study on the pyrolysis of perfluorobutanoic acid as a model compound for perfluoroalkyl acids

Adsorption of 2-chlorophenol on Cu₂O(1 1 1)–CuCUS: a first-principles density functional study

Adsorption of chlorophenol on the Cu(111) surface: a first-principles density functional theory study

Computational study of the oxidation and decomposition of dibenzofuran under atmospheric conditions

Dehydrohalogenation of ethyl halides

Density functional theory periodic slab calculations of adsorption and dissociation of H2O on the Cu2O(110):CuO surface

Electronic structure of the CuCl₂ (100) surface: a DFT first-principle study

Formation of chlorobenzenes by oxidative thermal decomposition of 1,3-dichloropropene

Formation of environmentally persistent free radicals on α-Al₂O₃

Formation of environmentally-persistent free radicals (EPFR) on α-Al₂O₃ clusters

Formation of PCDD/Fs in oxidation of 2-chlorophenol on neat silica surface

Formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) from oxidation of 4,4'-dichlorobiphenyl (4,4'-DCB)

Formation of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/F) in oxidation of captan pesticide

Formation of polychlorinated dibenzo-p-dioxins and polychlorinated dibenzofurans (PCDD/F) by precursor pathways in oxidation of pesticide alpha-cypermethrin

Mechanisms for formation, chlorination, dechlorination and destruction of polychlorinated dibenzo-p-dioxins and dibenzofurans (PCDD/Fs)

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