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Matsubara, Toshiaki, Maseras, Feliu, Koga, Nobuaki, Morokuma, Keiji (1996) Application of the New “Integrated MO + MM” (IMOMM) Method to the Organometallic Reaction Pt(PR3)2+ H2(R = H, Me,t-Bu, and Ph). The Journal of Physical Chemistry, 100 (7). 2573-2580 doi:10.1021/jp951762x

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Reference TypeJournal (article/letter/editorial)
TitleApplication of the New “Integrated MO + MM” (IMOMM) Method to the Organometallic Reaction Pt(PR3)2+ H2(R = H, Me,t-Bu, and Ph)
JournalThe Journal of Physical Chemistry
AuthorsMatsubara, ToshiakiAuthor
Maseras, FeliuAuthor
Koga, NobuakiAuthor
Morokuma, KeijiAuthor
Year1996 (January)Volume100
Issue7
PublisherAmerican Chemical Society (ACS)
DOIdoi:10.1021/jp951762xSearch in ResearchGate
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Mindat Ref. ID8045280Long-form Identifiermindat:1:5:8045280:1
GUID0
Full ReferenceMatsubara, Toshiaki, Maseras, Feliu, Koga, Nobuaki, Morokuma, Keiji (1996) Application of the New “Integrated MO + MM” (IMOMM) Method to the Organometallic Reaction Pt(PR3)2+ H2(R = H, Me,t-Bu, and Ph). The Journal of Physical Chemistry, 100 (7). 2573-2580 doi:10.1021/jp951762x
Plain TextMatsubara, Toshiaki, Maseras, Feliu, Koga, Nobuaki, Morokuma, Keiji (1996) Application of the New “Integrated MO + MM” (IMOMM) Method to the Organometallic Reaction Pt(PR3)2+ H2(R = H, Me,t-Bu, and Ph). The Journal of Physical Chemistry, 100 (7). 2573-2580 doi:10.1021/jp951762x
In(1996, January) The Journal of Physical Chemistry Vol. 100 (7) American Chemical Society (ACS)

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Matsubara, Toshiaki (2008) Application of the ONIOM-Molecular Dynamics Method to the Organometallic Reaction Cis-(H)2Pt(PR3)2→ H2+ Pt(PR3)2(R = H, Me, Ph, and t-Bu). An Insight into the Dynamical Environmental Effects. The Journal of Physical Chemistry A, 112 (40). 9886-9894 doi:10.1021/jp803070t
Svensson, Mats, Humbel, Stéphane, Froese, Robert D. J., Matsubara, Toshiaki, Sieber, Stefan, Morokuma, Keiji (1996) 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. The Journal of Physical Chemistry, 100 (50). 19357-19363 doi:10.1021/jp962071j
Maseras, Feliu, Koga, Nobuaki, Morokuma, Keiji (1994) Ab Initio MO and MM Study on the Nature of [Ru(P-P)2"H3"]+ (P-P = dppb, diop, dpmb, dppe) Complexes. Organometallics, 13. 4008-4016 doi:10.1021/om00022a043
Maseras, Feliu, Koga, Nobuaki, Morokuma, Keiji (1993) Ab initio molecular orbital characterization of the [Os(PR3)3"H5"]+ complex. Journal Of The American Chemical Society, 115 (18) 8313-8320 doi:10.1021/ja00071a045
Maseras, Feliu, Li, Xue Kui, Koga, Nobuaki, Morokuma, Keiji (1993) An ab initio molecular orbital study of the osmium complex [Os(PR3)3H4] system. Peeking into the peculiarities of seven-coordination. Journal Of The American Chemical Society, 115 (23) 10974-10980 doi:10.1021/ja00076a064
Matsubara, Toshiaki, Koga, Nobuaki, Musaev, Djamaladdin G., Morokuma, Keiji (2000) Density Functional Study on Highly Ortho-Selective Addition of an Aromatic CH Bond to Olefins Catalyzed by a Ru(H)2(CO)(PR3)3Complex. Organometallics, 19. 2318-2329 doi:10.1021/om0001220
Barea, Guada, Maseras, Feliu, Jean, Yves, Lledós, Agustí (1996) Theoretical Evaluation of Steric Effects in [ReH5(PR3)2(SiR3)2] Complexes with the IMOMM Method. Inorganic Chemistry, 35 (22) 6401-6405 doi:10.1021/ic960440k
Maseras, Feliu, Morokuma, Keiji (1995) IMOMM: A new integratedab initio + molecular mechanics geometry optimization scheme of equilibrium structures and transition states. Journal of Computational Chemistry, 16 (9). 1170-1179 doi:10.1002/jcc.540160911
Matsubara, Toshiaki, Koga, Nobuaki, Ding, Yanbo, Musaev, Djamaladdin G., Morokuma, Keiji (1997) Ab Initio MO Study of the Full Cycle of Olefin Hydroformylation Catalyzed by a Rhodium Complex, RhH(CO)2(PH3)2. Organometallics, 16. 1065-1078 doi:10.1021/om960785a
Musaev, Djamaladdin G., Koga, Nobuaki, Morokuma, Keiji (1993) Ab initio molecular orbital study of the electronic and geometric structure of methylenerhodium(1+) and the reaction mechanism: RhCH2+ + H2 .fwdarw. Rh+ + CH4. The Journal of Physical Chemistry, 97 (16). 4064-4075 doi:10.1021/j100118a022
Yoshida, Tohru, Koga, Nobuaki, Morokuma, Keiji (1996) A Combined ab Initio MO−MM Study on Isotacticity Control in Propylene Polymerization with Silylene-Bridged Group 4 Metallocenes.C2Symmetrical and Asymmetrical Catalysts. Organometallics, 15. 766-777 doi:10.1021/om9504009
 
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