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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
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
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
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
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
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
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
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
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
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
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
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
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
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
Comparison of the Reactivity of Bis(μ-oxo)CuIICuIII and CuIIICuIII Species to Methane
Y Shiota, K Yoshizawa
Inorganic chemistry 48 (3), 838-845, 2009
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
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
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
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
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
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