Yoshihito Shiota

Overview

Best Publications

• Computational prediction for singlet- and triplet-transition energies of charge-transfer compounds

  Shuping Huang;Qisheng Zhang;Yoshihito Shiota;Tetsuya Nakagawa

  348
  Citations

• Methane-to-Methanol Conversion by First-Row Transition-Metal Oxide Ions: ScO+, TiO+, VO+, CrO+, MnO+, FeO+, CoO+, NiO+, and CuO+

  Yoshihito Shiota;Kazunari Yoshizawa

  310
  Citations

• Intrinsic reaction coordinate analysis of the conversion of methane to methanol by an iron–oxo species: A study of crossing seams of potential energy surfaces

  Kazunari Yoshizawa;Yoshihito Shiota;Tokio Yamabe

  279
  Citations

• A light-induced spin crossover actuated single-chain magnet

  Tao Liu;Hui Zheng;Soonchul Kang;Yoshihito Shiota

  209
  Citations

• Direct Conversion of Methane to Methanol by Metal-Exchanged ZSM-5 Zeolite (Metal = Fe, Co, Ni, Cu)

  M. Haris Mahyuddin;M. Haris Mahyuddin;Aleksandar Staykov;Yoshihito Shiota;Kazunari Yoshizawa

  200
  Citations

• Methane selective oxidation to methanol by metal-exchanged zeolites: a review of active sites and their reactivity

  Muhammad Haris Mahyuddin;Yoshihito Shiota;Kazunari Yoshizawa

  190
  Citations

• Conversion of methane to methanol at the mononuclear and dinuclear copper sites of particulate methane monooxygenase (pMMO): a DFT and QM/MM study.

  Kazunari Yoshizawa;Yoshihito Shiota

  185
  Citations

• Direct Methane−Methanol and Benzene−Phenol Conversions on Fe−ZSM-5 Zeolite: Theoretical Predictions on the Reaction Pathways and Energetics

  Kazunari Yoshizawa;Yoshihito Shiota;and Takashi Yumura;Tokio Yamabe

  181
  Citations

• Macroscopic Polarization Change via Electron Transfer in a Valence Tautomeric Cobalt Complex

  Shu Qi Wu;Meijiao Liu;Meijiao Liu;Kaige Gao;Kaige Gao;Shinji Kanegawa

  171
  Citations

• Roles of Zeolite Confinement and Cu–O–Cu Angle on the Direct Conversion of Methane to Methanol by [Cu2(μ-O)]2+-Exchanged AEI, CHA, AFX, and MFI Zeolites

  M. Haris Mahyuddin;M. Haris Mahyuddin;Aleksandar Staykov;Yoshihito Shiota;Mayuko Miyanishi

  170
  Citations

• Ruthenium-catalyzed selective and efficient oxygenation of hydrocarbons with water as an oxygen source.

  Yuichirou Hirai;Takahiko Kojima;Yasuhisa Mizutani;Yoshihito Shiota

  164
  Citations

• Reaction Paths for the Conversion of Methane to Methanol Catalyzed by FeO

  Kazunari Yoshizawa;Yoshihito Shiota;Tokio Yamabe

  152
  Citations

• Catalytic mechanism of dopamine β-monooxygenase mediated by Cu(III)-oxo

  Kazunari Yoshizawa;Naoki Kihara;Takashi Kamachi;Yoshihito Shiota

  143
  Citations

• A spin-orbit coupling study on the spin inversion processes in the direct methane-to-methanol conversion by FeO+

  Yoshihito Shiota;Kazunari Yoshizawa

  142
  Citations

• Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex

  Zi Shuo Yao;Masaki Mito;Takashi Kamachi;Yoshihito Shiota

  141
  Citations

• Methane Partial Oxidation over [Cu2(μ-O)]2+ and [Cu3(μ-O)3]2+ Active Species in Large-Pore Zeolites

  M. Haris Mahyuddin;Takahiro Tanaka;Yoshihito Shiota;Aleksandar Staykov

  139
  Citations

• Abstraction of the Hydrogen Atom of Methane by Iron−Oxo Species: The Concerted Reaction Path Is Energetically More Favorable

  Kazunari Yoshizawa;Yoshihito Shiota;Tokio Yamabe

  137
  Citations

• Comparison of the Reactivity of Bis(μ-oxo)CuIICuIII and CuIIICuIII Species to Methane

  Yoshihito Shiota;Kazunari Yoshizawa

  129
  Citations

• A theoretical study of the dynamic behavior of alkane hydroxylation by a compound I model of cytochrome P450.

  Kazunari Yoshizawa;Takashi Kamachi;Yoshihito Shiota

  128
  Citations

• Multi‐Step Spin Crossover Accompanied by Symmetry Breaking in an FeIII Complex: Crystallographic Evidence and DFT Studies

  Zhao Yang Li;Jing Wei Dai;Yoshihito Shiota;Kazunari Yoshizawa

  127
  Citations