Author/Authors :
Fiser، نويسنده , , Béla and Mucsi، نويسنده , , Zoltلn and Gَmez-Bengoa، نويسنده , , Enrique and Viskolcz، نويسنده , , Béla and Jensen، نويسنده , , Svend J. Knak and Csizmadia، نويسنده , , Imre G.، نويسنده ,
Abstract :
Electronic structure calculations are used to derive thermodynamics data for the reaction Q + H2 → QH + H, where Q is a spin-½ radical. Data are obtained both for the gas and aqueous phase. Analysis of scaled relative free energy- and enthalpy changes for a set of 29 radicals inspires introduction of a radicalicity scale. This scale offers a simple measure of the reactivities of the different radicals.
