chemical reaction kinetics theoretical study 3 Article 2 Improved Lennard–Jones 2 ab initio calculation 2 ab initio calculations 2 article 2 astrochemistry 2 catalysis 2 chemical calculations 2 chemical reactions 2 metabolism 2 semiempirical potential energy surface 2 stoichiometry 2 4,6-dinitro-o-cresol 1 Apoenzymes 1 Autocatalytic networks 1 Biocatalysis 1 Catalysis 1 Catalytic Domain 1 Catalytic Reaction System 1 Catechols 1 Chemical Reaction Network theory 1 Chemical kinetics 1 Chemical reaction networks 1 Crystal structure 1 Dinitrocresols 1 Kinetics 1 Mechanism 1