ONIOM:  A Multilayered Integrated MO + MM Method for Geometry Optimizations and Single Point Energy Predictions. A Test for Diels−Alder Reactions and Pt(P(t-Bu)3)2 + H2 Oxidative Addition

Mats Svensson, Stéphane Humbel, Robert D. J. Froese, Toshiaki Matsubara, Stefan Sieber, Keiji Morokuma

Journal: The Journal of Physical Chemistry

Publisher: American Chemical Society (ACS)

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