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+ H2Oxidative Addition

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

doi:10.1021/jp962071j

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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(t-Bu)3)2+ H2Oxidative Addition

Author(s): Mats Svensson , Stéphane Humbel , Robert D. J. Froese , Toshiaki Matsubara , Stefan Sieber , Keiji Morokuma

Publication date Created: January 1996

Publication date (Print): January 1996

Journal: The Journal of Physical Chemistry

Publisher: American Chemical Society (ACS)

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Journal

Title: The Journal of Physical Chemistry

Abbreviated Title: J. Phys. Chem.

Publisher: American Chemical Society (ACS)

ISSN (Print): 0022-3654

ISSN (Electronic): 1541-5740

Publication date Created: January 1996

Publication date (Print): January 1996

Volume: 100

Issue: 50

Pages: 19357-19363

Article

DOI: 10.1021/jp962071j

SO-VID: d0b6d878-7079-48dd-b2c6-81dcb858a318

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