If you made any changes in Pure these will be visible here soon.

Research Output

Article

Catalytic formation of ammonia from molecular dinitrogen by use of dinitrogen-bridged dimolybdenum-dinitrogen complexes bearing pnp-pincer ligands: Remarkable effect of substituent at pnp-pincer ligand

Kuriyama, S., Arashiba, K., Nakajima, K., Tanaka, H., Kamaru, N., Yoshizawa, K. & Nishibayashi, Y., Jul 9 2014, In : Journal of the American Chemical Society. 136, 27, p. 9719-9731 13 p.

Research output: Contribution to journalArticle

96 Citations (Scopus)
27 Citations (Scopus)

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

Yoshizawa, K., Kihara, N., Kamachi, T. & Shiota, Y., Apr 3 2006, In : Inorganic chemistry. 45, 7, p. 3034-3041 8 p.

Research output: Contribution to journalArticle

106 Citations (Scopus)

Catalytic nitrogen fixation via direct cleavage of nitrogen-nitrogen triple bond of molecular dinitrogen under ambient reaction conditions

Arashiba, K., Eizawa, A., Tanaka, H., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jan 1 2017, In : Bulletin of the Chemical Society of Japan. 90, 10, p. 1111-1118 8 p.

Research output: Contribution to journalArticle

51 Citations (Scopus)

Catalytic Performance of a Dicopper-Oxo Complex for Methane Hydroxylation

Hori, Y., Shiota, Y., Tsuji, T., Kodera, M. & Yoshizawa, K., Jan 2 2018, In : Inorganic chemistry. 57, 1, p. 8-11 4 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Catalytic Reactivity of Molybdenum–Trihalide Complexes Bearing PCP-Type Pincer Ligands

Eizawa, A., Arashiba, K., Egi, A., Tanaka, H., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jun 14 2019, In : Chemistry - An Asian Journal. 14, 12, p. 2091-2096 6 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Catalytic reduction of dinitrogen to ammonia by use of molybdenum-nitride complexes bearing a tridentate triphosphine as catalysts

Arashiba, K., Kinoshita, E., Kuriyama, S., Eizawa, A., Nakajima, K., Tanaka, H., Yoshizawa, K. & Nishibayashi, Y., May 6 2015, In : Journal of the American Chemical Society. 137, 17, p. 5666-5669 4 p.

Research output: Contribution to journalArticle

124 Citations (Scopus)

Catalytic reduction of dinitrogen to tris(trimethylsilyl)amine using rhodium complexes with a pyrrole-based PNP-type pincer ligand

Kawakami, R., Kuriyama, S., Tanaka, H., Arashiba, K., Konomi, A., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jan 1 2019, In : Chemical Communications. 55, 99, p. 14886-14889 4 p.

Research output: Contribution to journalArticle

Catalytic Reduction of Molecular Dinitrogen to Ammonia and Hydrazine Using Vanadium Complexes

Sekiguchi, Y., Arashiba, K., Tanaka, H., Eizawa, A., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jul 16 2018, In : Angewandte Chemie - International Edition. 57, 29, p. 9064-9068 5 p.

Research output: Contribution to journalArticle

32 Citations (Scopus)
39 Citations (Scopus)

Catalytic roles of the metal ion in the substrate-binding site of coenzyme B12-dependent diol dehydratase

Kamachi, T., Doitomi, K., Takahata, M., Toraya, T. & Yoshizawa, K., Apr 4 2011, In : Inorganic chemistry. 50, 7, p. 2944-2952 9 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)

Catalytic transformation of dinitrogen into ammonia and hydrazine by iron-dinitrogen complexes bearing pincer ligand

Kuriyama, S., Arashiba, K., Nakajima, K., Matsuo, Y., Tanaka, H., Ishii, K., Yoshizawa, K. & Nishibayashi, Y., Jul 20 2016, In : Nature communications. 7, 12181.

Research output: Contribution to journalArticle

118 Citations (Scopus)

Cavity ring-down spectroscopy and relative rate study of reactions of HCO radicals with O2, NO, NO2, and Cl2 at 295 K

Ninomiya, Y., Goto, M., Hashimoto, S., Kagawa, Y., Yoshizawa, K., Kawasaki, M., Wallington, T. J. & Hurley, M. D., Aug 1 2000, In : Journal of Physical Chemistry A. 104, 32, p. 7556-7564 9 p.

Research output: Contribution to journalArticle

30 Citations (Scopus)

Cis -1,2-Aminohydroxylation of Alkenes Involving a Catalytic Cycle of Osmium(III) and Osmium(V) Centers: OsV(O)(NHTs) Active Oxidant with a Macrocyclic Tetradentate Ligand

Sugimoto, H., Mikami, A., Kai, K., Sajith, P. K., Shiota, Y., Yoshizawa, K., Asano, K., Suzuki, T. & Itoh, S., Jul 20 2015, In : Inorganic chemistry. 54, 14, p. 7073-7082 10 p.

Research output: Contribution to journalArticle

5 Citations (Scopus)

Cis-trans isomerization of iodine-doped polyacetylene

Tanaka, K., Yoshizawa, K., Ohzeki, K. & Yamabe, T., Jan 1 1983, In : Solid State Communications. 45, 4, p. 391-393 3 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

Cleavage and Formation of Molecular Dinitrogen in a Single System Assisted by Molybdenum Complexes Bearing Ferrocenyldiphosphine

Miyazaki, T., Tanaka, H., Tanabe, Y., Yuki, M., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Oct 20 2014, In : Angewandte Chemie - International Edition. 53, 43, p. 11488-11492 5 p.

Research output: Contribution to journalArticle

57 Citations (Scopus)

Cleavage of C-H bond of methane on intermediate Q of methane monooxygenase

Yoshizawa, K., Ohta, T., Shiota, Y. & Yamabe, T., Jan 1 1997, In : Chemistry Letters. 12, p. 1213-1214 2 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Cobalt-Carbon Bond Formation Reaction via Ligand Reduction of Porphycene-Cobalt(II) Complex and Its Noninnocent Reactivity

Koide, T., Aritome, I., Saeki, T., Morita, Y., Shiota, Y., Yoshizawa, K., Shimakoshi, H. & Hisaeda, Y., Jan 1 2018, In : ACS Omega. 3, 4, p. 4027-4034 8 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Cobalt-catalyzed transformation of molecular dinitrogen into silylamine under ambient reaction conditions

Imayoshi, R., Tanaka, H., Matsuo, Y., Yuki, M., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jun 1 2015, In : Chemistry - A European Journal. 21, 24, p. 8905-8909 5 p.

Research output: Contribution to journalArticle

48 Citations (Scopus)

Combined experimental and theoretical approach to understand the reactivity of a mononuclear Cu(II)-hydroperoxo complex in oxygenation reactions

Kamachi, T., Lee, Y. M., Nishimi, T., Cho, J., Yoshizawa, K. & Nam, W., Dec 18 2008, In : Journal of Physical Chemistry A. 112, 50, p. 13102-13108 7 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Combined theoretical and experimental study on alcoholysis of amides on CeO2 surface: A catalytic interplay between Lewis acid and base sites

Kamachi, T., Siddiki, S. M. A. H., Morita, Y., Rashed, M. N., Kon, K., Toyao, T., Shimizu, K. I. & Yoshizawa, K., Apr 1 2018, In : Catalysis Today. 303, p. 256-262 7 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Comparison of the reactivity of bis(μ-oxo)CuIICu III and CuIIICuIII species to methane

Shiota, Y. & Yoshizawa, K., Feb 2 2009, In : Inorganic chemistry. 48, 3, p. 838-845 8 p.

Research output: Contribution to journalArticle

75 Citations (Scopus)

Complete photochromic structural changes in ruthenium(II)-diimine complexes, based on control of the excited states by metalation

Sawaki, T., Ishizuka, T., Kawano, M., Shiota, Y., Yoshizawa, K. & Kojima, T., Jul 1 2013, In : Chemistry - A European Journal. 19, 27, p. 8978-8990 13 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)
8 Citations (Scopus)

Computational exploration of the catalytic mechanism of dopamine β-monooxygenase: Modeling of its mononuclear copper active sites

Kamachi, T., Kihara, N., Shiota, Y. & Yoshizawa, K., Jun 13 2005, In : Inorganic Chemistry. 44, 12, p. 4226-4236 11 p.

Research output: Contribution to journalArticle

67 Citations (Scopus)

Computational exploration of the mechanism of the hydrogenation step of the anthraquinone process for hydrogen peroxide production

Kamachi, T., Ogata, T., Mori, E., Iura, K., Okuda, N., Nagata, M. & Yoshizawa, K., Apr 23 2015, In : Journal of Physical Chemistry C. 119, 16, p. 8748-8754 7 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)
31 Citations (Scopus)

Computational mutation design of diol dehydratase: Catalytic ability toward glycerol beyond the wild-type enzyme

Doitomi, K., Tanaka, H., Kamachi, T., Toraya, T. & Yoshizawa, K., 2014, In : Bulletin of the Chemical Society of Japan. 87, 9, p. 950-959 10 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)

Computational mutation study of the roles of catalytic residues in coenzyme B12-dependent diol dehydratase

Doitomi, K., Kamachi, T., Toraya, T. & Yoshizawa, K., Jan 1 2016, In : Bulletin of the Chemical Society of Japan. 89, 8, p. 955-964 10 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

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

Huang, S., Zhang, Q., Shiota, Y., Nakagawa, T., Kuwabara, K., Yoshizawa, K. & Adachi, C., Sep 10 2013, In : Journal of Chemical Theory and Computation. 9, 9, p. 3872-3877 6 p.

Research output: Contribution to journalArticle

190 Citations (Scopus)

Computational Studies on the Thermodynamic and Kinetic Parameters of Oxidation of 2-Methoxyethanol Biofuel via H-Atom Abstraction by Methyl Radical

Abdel-Rahman, M. A., El-Gogary, T. M., Al-Hashimi, N., Shibl, M. F., Yoshizawa, K. & El-Nahas, A. M., Dec 1 2019, In : Scientific reports. 9, 1, 15361.

Research output: Contribution to journalArticle

Open Access
4 Citations (Scopus)
9 Citations (Scopus)

Computational Study on the Light-Induced Oxidation of Iridium-Aqua Complex to Iridium-Oxo Complex over WO3(001) Surface

Ikeda, K., Mahyuddin, M. H., Shiota, Y., Staykov, A., Matsumoto, T., Ogo, S. & Yoshizawa, K., Jan 1 2019, (Accepted/In press) In : Inorganic chemistry.

Research output: Contribution to journalArticle

Conductance through short DNA molecules

Staykov, A., Tsuji, Y. & Yoshizawa, K., Mar 3 2011, In : Journal of Physical Chemistry C. 115, 8, p. 3481-3490 10 p.

Research output: Contribution to journalArticle

32 Citations (Scopus)

Configurational inversion of the tetrahedral molecules CH4, SiH4, and GeH4

Yoshizawa, K. & Suzuki, A., Sep 1 2001, In : Chemical Physics. 271, 1-2, p. 41-54 14 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Contribution of Coulomb Interactions to a Two-Step Crystal Structure Phase Transformation Coupled with a Significant Change in Spin Crossover Behavior for a Series of Charged FeII Complexes from 2,6-Bis(2-methylthiazol-4-yl)pyridine

Takahashi, K., Okai, M., Mochida, T., Sakurai, T., Ohta, H., Yamamoto, T., Einaga, Y., Shiota, Y., Yoshizawa, K., Konaka, H. & Sasaki, A., Feb 5 2018, In : Inorganic chemistry. 57, 3, p. 1277-1287 11 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Controlling the redox properties of a pyrroloquinolinequinone (PQQ) derivative in a ruthenium(ii) coordination sphere

Mitome, H., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Feb 21 2015, In : Dalton Transactions. 44, 7, p. 3151-3158 8 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)
101 Citations (Scopus)
51 Citations (Scopus)

Crystal orbital overlap population analysis of the capacity fading of metal-substituted spinel lithium manganate LiMn2O4

Hasegawa, A., Yoshizawa, K. & Yamabe, T., Nov 1 2000, In : Journal of the Electrochemical Society. 147, 11, p. 4052-4057 6 p.

Research output: Contribution to journalArticle

9 Citations (Scopus)

Crystal orbital study on ferromagnetic state of poly(m-aniline)

Yoshizawa, K., Takata, A., Tanaka, K. & Yamabe, T., Sep 1992, In : Polymer Journal. 24, 9, p. 857-864 8 p.

Research output: Contribution to journalArticle

32 Citations (Scopus)

Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin

Morita, Y., Oohora, K., Mizohata, E., Sawada, A., Kamachi, T., Yoshizawa, K., Inoue, T. & Hayashi, T., Feb 1 2016, In : Inorganic Chemistry. 55, 3, p. 1287-1295 9 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)

Cupric-superoxide complex that induces a catalytic aldol reaction-type C–C bond formation

Abe, T., Hori, Y., Shiota, Y., Ohta, T., Morimoto, Y., Sugimoto, H., Ogura, T., Yoshizawa, K. & Itoh, S., Dec 1 2019, In : Communications Chemistry. 2, 1, 12.

Research output: Contribution to journalArticle

Open Access
5 Citations (Scopus)

Current rectification in nitrogen- and boron-doped nanographenes and cyclophanes

Staykov, A., Li, X., Tsuji, Y. & Yoshizawa, K., Aug 30 2012, In : Journal of Physical Chemistry C. 116, 34, p. 18451-18459 9 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Current rectification through π-π Stacking in multilayered donor-acceptor cyclophanes

Tsuji, Y. & Yoshizawa, K., Dec 20 2012, In : Journal of Physical Chemistry C. 116, 50, p. 26625-26635 11 p.

Research output: Contribution to journalArticle

21 Citations (Scopus)

Density functional study on possible peroxo form of non-heme diiron enzyme model

Yoshizawa, K., Yokomichi, Y., Shiota, Y., Ohta, T. & Yamabe, T., Jan 1 1997, In : Chemistry Letters. 7, p. 587-588 2 p.

Research output: Contribution to journalArticle

24 Citations (Scopus)

Density functional theory study on the C–H bond activation of alkane by cytochrome P450

Yoshizawa, K., Nov 1 2002, In : International Congress Series. 1233, C, p. 191-195 5 p.

Research output: Contribution to journalArticle

Density-Functional Tight-Binding Study on the Effects of Interfacial Water in the Adhesion Force between Epoxy Resin and Alumina Surface

Yoshizawa, K., Murata, H. & Tanaka, H., Nov 27 2018, In : Langmuir. 34, 47, p. 14428-14438 11 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Dependence of single-molecule conductance on molecule junction symmetry

Taniguchi, M., Tsutsui, M., Mogi, R., Sugawara, T., Tsuji, Y., Yoshizawa, K. & Kawai, T., Aug 3 2011, In : Journal of the American Chemical Society. 133, 30, p. 11426-11429 4 p.

Research output: Contribution to journalArticle

62 Citations (Scopus)