Computational prediction for singlet-and triplet-transition energies of charge-transfer compounds S Huang, Q Zhang, Y Shiota, T Nakagawa, K Kuwabara, K Yoshizawa, ...
Journal of chemical theory and computation 9 (9), 3872-3877, 2013
350 2013 Methane-to-Methanol Conversion by First-Row Transition-Metal Oxide Ions: ScO+ , TiO+ , VO+ , CrO+ , MnO+ , FeO+ , CoO+ , NiO+ , and CuO+ Y Shiota, K Yoshizawa
Journal of the American Chemical Society 122 (49), 12317-12326, 2000
311 2000 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 K Yoshizawa, Y Shiota, T Yamabe
The Journal of chemical physics 111 (2), 538-545, 1999
283 1999 Methane−Methanol Conversion by MnO+ , FeO+ , and CoO+ : A Theoretical Study of Catalytic Selectivity K Yoshizawa, Y Shiota, T Yamabe
Journal of the American Chemical Society 120 (3), 564-572, 1998
211 1998 A light-induced spin crossover actuated single-chain magnet T Liu, H Zheng, S Kang, Y Shiota, S Hayami, M Mito, O Sato, K Yoshizawa, ...
Nature communications 4 (1), 2826, 2013
204 2013 Direct conversion of methane to methanol by metal-exchanged ZSM-5 zeolite (Metal= Fe, Co, Ni, Cu) MH Mahyuddin, A Staykov, Y Shiota, K Yoshizawa
Acs Catalysis 6 (12), 8321-8331, 2016
191 2016 Conversion of methane to methanol at the mononuclear and dinuclear copper sites of particulate methane monooxygenase (pMMO): a DFT and QM/MM study K Yoshizawa, Y Shiota
Journal of the American Chemical Society 128 (30), 9873-9881, 2006
191 2006 Methane selective oxidation to methanol by metal-exchanged zeolites: a review of active sites and their reactivity MH Mahyuddin, Y Shiota, K Yoshizawa
Catalysis Science & Technology 9 (8), 1744-1768, 2019
187 2019 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 MH Mahyuddin, A Staykov, Y Shiota, M Miyanishi, K Yoshizawa
Acs Catalysis 7 (6), 3741-3751, 2017
167 2017 Ruthenium‐Catalyzed Selective and Efficient Oxygenation of Hydrocarbons with Water as an Oxygen Source Y Hirai, T Kojima, Y Mizutani, Y Shiota, K Yoshizawa, S Fukuzumi
Angewandte Chemie International Edition 47 (31), 5772-5776, 2008
162 2008 Direct methane− methanol and benzene− phenol conversions on Fe− ZSM-5 zeolite: Theoretical predictions on the reaction pathways and energetics K Yoshizawa, Y Shiota, T Yumura, T Yamabe
The Journal of Physical Chemistry B 104 (4), 734-740, 2000
161 2000 Abstraction of the Hydrogen Atom of Methane by Iron− Oxo Species: The Concerted Reaction Path Is Energetically More Favorable K Yoshizawa, Y Shiota, T Yamabe
Organometallics 17 (13), 2825-2831, 1998
145 1998 Catalytic mechanism of dopamine β-monooxygenase mediated by Cu (iii)− oxo K Yoshizawa, N Kihara, T Kamachi, Y Shiota
Inorganic chemistry 45 (7), 3034-3041, 2006
144 2006 Reaction Paths for the Conversion of Methane to Methanol Catalyzed by FeO+ K Yoshizawa, Y Shiota, T Yamabe
Chemistry–A European Journal 3 (7), 1160-1169, 1997
139 1997 A ferromagnetically coupled Fe42 cyanide-bridged nanocage S Kang, H Zheng, T Liu, K Hamachi, S Kanegawa, K Sugimoto, Y Shiota, ...
Nature communications 6 (1), 5955, 2015
134 2015 Methane Partial Oxidation over [Cu2 (μ-O)]2+ and [Cu3 (μ-O)3 ]2+ Active Species in Large-Pore Zeolites MH Mahyuddin, T Tanaka, Y Shiota, A Staykov, K Yoshizawa
ACS Catalysis 8 (2), 1500-1509, 2018
132 2018 Comparison of the Reactivity of Bis(μ-oxo)CuII CuIII and CuIII CuIII Species to Methane Y Shiota, K Yoshizawa
Inorganic chemistry 48 (3), 838-845, 2009
132 2009 Molecular motor-driven abrupt anisotropic shape change in a single crystal of a Ni complex ZS Yao, M Mito, T Kamachi, Y Shiota, K Yoshizawa, N Azuma, Y Miyazaki, ...
Nature Chemistry 6 (12), 1079-1083, 2014
129 2014 A theoretical study of the dynamic behavior of alkane hydroxylation by a compound I model of cytochrome P450 K Yoshizawa, T Kamachi, Y Shiota
Journal of the American Chemical Society 123 (40), 9806-9816, 2001
122 2001 A spin–orbit coupling study on the spin inversion processes in the direct methane-to-methanol conversion by Y Shiota, K Yoshizawa
The Journal of chemical physics 118 (13), 5872-5879, 2003
112 2003 
Kazunari YoshizawaInstitute for Materials Chemistry and Engineering, Kyushu UniversityVerifisert e-postadresse på ms.ifoc.kyushu-u.ac.jp