title: Ab initio study of oxygen atom transfer from hydrogen peroxide to trimethylamine.
abstract: 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.
authors.affiliation: Istituto di Biocatalisi e Biconoscimento Molecolare, Via Mario Bianco 9, 20131 Milano, Italy. ottolina@ico.mi.cnr.it
authors.forename: G
authors.initials: G
authors.lastname: Ottolina
authors.forename: G
authors.initials: G
authors.lastname: Carrea