Yu-ya Ohnishi (Yuya Onishi)
Postdoctoral Research Associate
Quantum Theory Project
Department of Chemistry and Department of Physics
University of Florida
Publications List
Journal articles
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So Hirata, Edward B. Miller, Yu-ya Ohnishi, Kiyoshi Yagi
“ On the Validity of the Born-Oppenheimer Separation and the Accuracy
of Diagonal Corrections in Anharmonic Molecular Vibrations”
J. Phys. Chem. A, 113, 12461–12469 (2009)
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Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Yoshiaki Nakao, Tamejiro Hiyama, Shigeyoshi Sakaki
“A Theoretical Study of Nickel(0)-Catalyzed Phenylcyanation of Alkynes.
Reaction Mechanism and Regioselectivity”
Organometallics, 28, 2583–2594 (2009)
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Akihiro Sugiyama, Yu-ya Ohnishi, Mayu Nakaoka, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki,
Yoshiaki Nakao, Tamejiro Hiyama
“Why Does Fluoride Anion Accelerate Transmetalation between Vinylsilane and
Palladium(II)-Vinyl Complex? Theoretical Study”
J. Am. Chem. Soc., 130, 12975–12985 (2008)
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Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
“Frontier Orbital Consistent Quantum Capping Potential (FOC-QCP)
for Bulky Ligand of Transition Metal Complexes”
J. Phys. Chem. A, 112, 1946–1955 (2008)
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Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
“Theoretical Study of Oxidative Additions of H2 and MeCN to a Nickel(0) Complex:
Significantly Large Correlation Effects and Characteristic Features of the Reaction”
J. Phys. Chem. A, 111, 7915–7924 (2007)
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Yu-ya Ohnishi, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
“Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid.
Theoretical Study of Significant Acceleration by Water Molecules”
Organometallics, 25, 3352–3363 (2006)
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Yu-ya Ohnishi, Tadashi Matsunaga, Yoshihide Nakao, Hirofumi Sato, Shigeyoshi Sakaki
“Ruthenium(II)-Catalyzed Hydrogenation of Carbon Dioxide to Formic Acid.
Theoretical Study of Real Catalyst, Ligand Effects, and Solvation Effects”
J. Am. Chem. Soc., 127, 4021–4032 (2005)
Book chapters
Experience and Education
Experience
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Postdoctoral Research Associate
Quantum Theory Project, Department of Chemistry and Department of Physics, University of Florida
with Associate Professor So Hirata (2009/9–Present)
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Postdoctoral Research Associate
Graduate School of Engineering, Kyoto University
with Shigeyoshi Sakaki (2009/4–2009/8)
Education
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Ph.D (Engineering)
Graduate School of Engineering, Kyoto University, 2009
Supervisor: Professor Shigeyoshi Sakaki
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M.Sc (Engineering)
Graduate School of Engineering, Kyoto University, 2006
Supervisor: Professor Shigeyoshi Sakaki
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B.Sc (Engineering)
Department of Engineering, Kyoto University, 2004
Supervisor: Professor Shigeyoshi Sakaki
Fellowship
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JSPS Fellow, DC1
Japan Society for the Promotion of Science, 2006–2009.
Awards
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JSPS Fellow, DC1
Japan Society for the Promotion of Science, 2006–2009.
Contact
E-Mail: ohnishi@qtp.ufl.edu
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