Toshiaki Matsubara

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)₃)₂ + H₂ Oxidative Addition

Mats Svensson, Stéphane Humbel, Robert D. J. Froese et al. · The Journal of Physical Chemistry · 1996 · 2K citations

Natural Sciences, Chemistry, Physics +17

A test of the new ?integrated MO + MM? (IMOMM) method for the conformational energy of ethane andn-butane

Toshiaki Matsubara, Stefan Sieber, Keiji Morokuma · International Journal of Quantum Chemistry · 1996 · 185 citations

Natural Sciences, Chemistry, Physics +15

Mechanistic Aspects of the Alternating Copolymerization of Propene with Carbon Monoxide Catalyzed by Pd(II) Complexes of Unsymmetrical Phosphine−Phosphite Ligands

Kyoko Nozaki, Naomasa Sato, Y. Tonomura et al. · Journal of the American Chemical Society · 1997 · 173 citations

Natural Sciences, Chemistry, Catalysis +16

Application of the New “Integrated MO + MM” (IMOMM) Method to the Organometallic Reaction Pt(PR₃)₂ + H₂ (R = H, Me, <i>t</i>-Bu, and Ph)

Toshiaki Matsubara, Feliu Maseras, Nobuaki Koga et al. · The Journal of Physical Chemistry · 1996 · 147 citations

Natural Sciences, Chemistry, Computational Chemistry +13

Ab Initio MO Study of the Full Cycle of Olefin Hydroformylation Catalyzed by a Rhodium Complex, RhH(CO)₂(PH₃)₂

Toshiaki Matsubara, Nobuaki Koga, Yanbo Ding et al. · Organometallics · 1997 · 119 citations

Natural Sciences, Chemistry, Catalysis +15