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

• 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)
• 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)
• 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)
• 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)
• 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)
• 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)
• 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

• Shigeyoshi Sakaki, Noriaki Ochi, Yu-ya Ohnishi
  “Heterolytic σ-Bond Activation by Transition Metal Complexes”
  in Computational Modeling for Homogeneous and Enzymatic Catalysis: A Knowledge-Base for Designing Efficient Catalysts.
  Edited by Keiji Morokuma and Djamaladdin G. Musaev (Wiley, Weinheim, 2008)

Experience and Education

Experience

• Postdoctoral Research Associate
  Quantum Theory Project, Department of Chemistry and Department of Physics, University of Florida
  with Associate Professor So Hirata (2009/9–Present)
• Postdoctoral Research Associate
  Graduate School of Engineering, Kyoto University
  with Shigeyoshi Sakaki (2009/4–2009/8)

Education

• Ph.D (Engineering)
  Graduate School of Engineering, Kyoto University, 2009
  Supervisor: Professor Shigeyoshi Sakaki
• M.Sc (Engineering)
  Graduate School of Engineering, Kyoto University, 2006
  Supervisor: Professor Shigeyoshi Sakaki
• B.Sc (Engineering)
  Department of Engineering, Kyoto University, 2004
  Supervisor: Professor Shigeyoshi Sakaki

Fellowship

• JSPS Fellow, DC1
  Japan Society for the Promotion of Science, 2006–2009.

Awards

• JSPS Fellow, DC1
  Japan Society for the Promotion of Science, 2006–2009.

Contact

E-Mail: ohnishi@qtp.ufl.edu

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