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

Journal of Physical Chemistry

Volumn 100, Issue 50, 1996, Pages 19357-19363

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

^a EMORY UNIVERSITY   (United States)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 31144441067     PISSN: 00223654     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp962071j     Document Type: Article

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