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

Dehydrohalogenation of ethyl halides

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

Quantum chemical study of low temperature oxidation mechanism of dibenzofuran

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

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

Thermochemical parameters and pKa values for chlorinated congeners of thiophenol

Theoretical study on the thermodynamic properties and self-decomposition of methylbenzenediol isomers

Theoretical study of reactions of HO₂ in low-temperature oxidation of benzene

Theoretical study of reaction pathways of dibenzofuran and dibenzo-p-dioxin under reducing conditions

A mechanistic and kinetic study on the decomposition of morpholine

Theoretical study of unimolecular decomposition of catechol

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

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

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

Rate constants for hydrogen abstraction reactions by the hydroperoxyl radical from methanol, ethenol, acetaldehyde, toluene, and phenol

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

Quantum chemical and kinetic study of formation of 2-chlorophenoxy radical from 2-chlorophenol: unimolecular decomposition and bimolecular reactions with H, OH, Cl, and O₂

Thermochemical properties and decomposition pathways of three isomeric semiquinone radicals

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

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