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
345 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
305 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
282 1999 Catalytic transformation of dinitrogen into ammonia and hydrazine by iron-dinitrogen complexes bearing pincer ligand S Kuriyama, K Arashiba, K Nakajima, Y Matsuo, H Tanaka, K Ishii, ...
Nature communications 7 (1), 12181, 2016
275 2016 A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome P450 T Kamachi, K Yoshizawa
Journal of the American Chemical Society 125 (15), 4652-4661, 2003
273 2003 Orbital views of the electron transport in molecular devices K Yoshizawa, T Tada, A Staykov
Journal of the American Chemical Society 130 (29), 9406-9413, 2008
254 2008 Catalytic reduction of dinitrogen to ammonia by use of molybdenum–nitride complexes bearing a tridentate triphosphine as catalysts K Arashiba, E Kinoshita, S Kuriyama, A Eizawa, K Nakajima, H Tanaka, ...
Journal of the American Chemical Society 137 (17), 5666-5669, 2015
249 2015 Remarkable catalytic activity of dinitrogen-bridged dimolybdenum complexes bearing NHC-based PCP-pincer ligands toward nitrogen fixation A Eizawa, K Arashiba, H Tanaka, S Kuriyama, Y Matsuo, K Nakajima, ...
Nature communications 8 (1), 14874, 2017
234 2017 Catalytic formation of ammonia from molecular dinitrogen by use of dinitrogen-bridged dimolybdenum–dinitrogen complexes bearing PNP-pincer ligands: remarkable effect of … S Kuriyama, K Arashiba, K Nakajima, H Tanaka, N Kamaru, K Yoshizawa, ...
Journal of the American Chemical Society 136 (27), 9719-9731, 2014
232 2014 Highly versatile organostibine mediators for living radical polymerization S Yamago, B Ray, K Iida, J Yoshida, T Tada, K Yoshizawa, Y Kwak, ...
Journal of the American Chemical Society 126 (43), 13908-13909, 2004
231 2004 Interplay between theory and experiment for ammonia synthesis catalyzed by transition metal complexes H Tanaka, Y Nishibayashi, K Yoshizawa
Accounts of chemical research 49 (5), 987-995, 2016
229 2016 Magnetic properties of TDAE- K Tanaka, AA Zakhidov, K Yoshizawa, K Okahara, T Yamabe, K Yakushi, ...
Physical Review B 47 (12), 7554, 1993
214 * 1993 Direct transformation of molecular dinitrogen into ammonia catalyzed by cobalt dinitrogen complexes bearing anionic PNP pincer ligands S Kuriyama, K Arashiba, H Tanaka, Y Matsuo, K Nakajima, K Yoshizawa, ...
Angewandte Chemie International Edition 55 (46), 14291-14295, 2016
211 2016 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
207 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
200 2013 Lithium intercalation in TiO 2 modifications G Nuspl, K Yoshizawa, T Yamabe
Journal of materials chemistry 7 (12), 2529-2536, 1997
197 1997 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
188 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
186 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
181 2019 Catalytic nitrogen fixation via direct cleavage of nitrogen–nitrogen triple bond of molecular dinitrogen under ambient reaction conditions K Arashiba, A Eizawa, H Tanaka, K Nakajima, K Yoshizawa, ...
Bulletin of the Chemical Society of Japan 90 (10), 1111-1118, 2017
177 2017 
YOSHIHITO SHIOTA九州大学Email verificata su ms.ifoc.kyushu-u.ac.jp