Browsing by Subject "Mechanism"
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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 ...
Transient methods in heterogeneous catalysis: Experimental features and application to study mechanistic aspects of the CH4/O2 (OCM), NH3/O2 and NO/He reactions (1997)Experimental features of the transient method using concentration forcing functions to study the surface dynamics of a heterogeneous catalytic reaction at 1 atm and with on line mass spectroscopy are discussed. Emphasis ...