Browsing by Subject "CCSD(T)"
Now showing items 1-1 of 1
-
Article
A computational study on the possible role of oxygen in the oxidation of methionine and dimethylsulfide initiated by OH radicals
(2013)The oxidation of methionine residues (Met) is related with the pathogenesis of diseases like Alzheimer's. Density functional theory (B3LYP) calculations are used to investigate the thermochemistry of several possible ...