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The impact of acidic and basic ionic liquid melts (l-ethyl-3-methylimidazolium chloride) on the rates of the Diels-Alder reaction between cyclopentadiene and methylacrylate has been investigated with the PDDG/PM3 method for the QM part and the OPLS force field for the solvent molecules. The ability of the ionic liquid to act as hydrogen bond donor (cation effect), moderated by its hydrogen bond... [Pg.53]

See other pages where PDDG/PM3 method is mentioned: [Pg.450] [Pg.123]