Author/Authors :
Chandra، نويسنده , , Asit K. and Uchimaru، نويسنده , , Tadafumi and Sugie، نويسنده , , Masaaki and Sekiya، نويسنده , , Akira، نويسنده ,
Abstract :
The density functional theory based descriptor of reactivity, hardness, correlates well with the activation energies for a series of hydrogen atom abstraction reactions between the hydroxyl radical and halomethane compounds. A good correlation has also been observed for simple haloethane compounds.
