DFT study on reaction mechanism of di-tert-butylphenol to di-tert-butylhydroxybenzoic acid - Jin, Neng-Zhi; Zhang, Qi-Bin; Liu, Rong; Zhou, Pan-Pan (Structural chemistry, 2022)
Keywords: Activation energy; Chemistry; Chemistry and Materials Science; Computer Applications in Chemistry; Gibbs free energy; Original Research; Physical Chemistry; Reaction mechanisms; Theoretical and Computational Chemistry; Thermodynamics; Reaction mechanism; Kolbe–Schmitt; 2,6-Di-tert-butylphenol; 2,4-Di-tert-butylphenol