A DFT-based investigation of hydrogen abstraction reactions from methylated polycyclic aromatic hydrocarbons.
D000465:Algorithms; D005609:Free Radicals / Q000737:chemistry; D006859:Hydrogen / Q000737:chemistry*; D007700:Kinetics; D008956:Models, Chemical; D011084:Polycyclic Aromatic Hydrocarbons / Q000737:chemistry*; D013696:Temperature; D013816:Thermodynamics; D014050:Toluene / Q000737:chemistry
D005609:Free Radicals; D011084:Polycyclic Aromatic Hydrocarbons; D014050:Toluene; D006859:Hydrogen