Ab initio study of oxygen atom transfer from hydrogen peroxide to trimethylamine.
Unlike what has been theoretically proposed for ammonia oxidation with hydrogen peroxide, trimethylamine oxidation occurs with a concerted mechanism, which is favored even when an explicit water molecule is added or continuum solvent (water) is simulated.
Ottolina
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Istituto di Biocatalisi e Biconoscimento Molecolare, Via Mario Bianco 9, 20131 Milano, Italy. ottolina@ico.mi.cnr.it
Carrea
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