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ONIOM: A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels-Alder Reactions and Pt(P(<i>t</i>-Bu)<sub>3</sub>)<sub>2</sub> + H<sub>2</sub> Oxidative Addition

, , , , , and . J. Phys. Chem., 100 (50): 19357--19363 (December 1996)
DOI: 10.1021/jp962071j

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