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Research Output

Article

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

2 Citations (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

63 Citations (Scopus)

Design of one-dimensional ferromagnet based on polyacetylene chain

Yoshizawa, K., Tanaka, K. & Yamabe, T., Oct 1 1993, In : Synthetic Metals. 60, 3, p. 279-283 5 p.

Research output: Contribution to journalArticle

10 Citations (Scopus)

DFT analysis of cubane-type feir3s4 clusters. Dinitrogen binding and activation at the tetrahedral Fe site

Kozlowski, P. M., Shiota, Y., Gomita, S., Seino, H., Mizobe, Y. & Yoshizawa, K., 2007, In : Bulletin of the Chemical Society of Japan. 80, 12, p. 2323-2328 6 p.

Research output: Contribution to journalArticle

4 Citations (Scopus)
4 Citations (Scopus)

DFT exploration of active site motifs in methane hydroxylation by Ni-ZSM-5 zeolite

Mahyuddin, M. H. & Yoshizawa, K., Jan 1 2018, In : Catalysis Science and Technology. 8, 22, p. 5875-5885 11 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)
24 Citations (Scopus)
34 Citations (Scopus)

DFT study on N2 activation by a hydride-bridged diniobium complex. N≡N Bond cleavage accompanied by H2 evolution

Tanaka, H., Shiota, Y., Matsuo, T., Kawaguchi, H. & Yoshizawa, K., Apr 20 2009, In : Inorganic chemistry. 48, 8, p. 3875-3881 7 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Dioxygen Activation on Cu-MOR Zeolite: Theoretical Insights into the Formation of Cu2O and Cu3O3 Active Species

Mahyuddin, M. H., Tanaka, T., Staykov, A., Shiota, Y. & Yoshizawa, K., Aug 20 2018, In : Inorganic chemistry. 57, 16, p. 10146-10152 7 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)

Dioxygen Binding to Dinuclear Iron Centers on Methane Monooxygenase Models

Yoshizawa, K. & Hoffmann, R., 1996, In : Inorganic chemistry. 35, 9, p. 2409-2410 2 p.

Research output: Contribution to journalArticle

49 Citations (Scopus)

Dioxygen cleavage and methane activation on diiron enzyme models: A theoretical study

Yoshizawa, K., Ohta, T., Yamabe, T. & Hoffmann, R., Dec 17 1997, In : Journal of the American Chemical Society. 119, 50, p. 12311-12321 11 p.

Research output: Contribution to journalArticle

83 Citations (Scopus)

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

Mahyuddin, M. H., Staykov, A. T., Shiota, Y. & Yoshizawa, K., Dec 2 2016, In : ACS Catalysis. 6, 12, p. 8321-8331 11 p.

Research output: Contribution to journalArticle

64 Citations (Scopus)

Directional Electron Transfer in Crystals of [CrCo] Dinuclear Complexes Achieved by Chirality-Assisted Preparative Method

Kanegawa, S., Shiota, Y., Kang, S., Takahashi, K., Okajima, H., Sakamoto, A., Iwata, T., Kandori, H., Yoshizawa, K. & Sato, O., Nov 2 2016, In : Journal of the American Chemical Society. 138, 43, p. 14170-14173 4 p.

Research output: Contribution to journalArticle

15 Citations (Scopus)
126 Citations (Scopus)

Direct participation of potassium ion in the catalysis of Coenzyme B12-dependent diol dehydratase

Toraya, T., Yoshizawa, K., Eda, M. & Yamabe, T., 1999, In : Journal of Biochemistry. 126, 4, p. 650-654 5 p.

Research output: Contribution to journalArticle

39 Citations (Scopus)

Direct Transformation of Molecular Dinitrogen into Ammonia Catalyzed by Cobalt Dinitrogen Complexes Bearing Anionic PNP Pincer Ligands

Kuriyama, S., Arashiba, K., Tanaka, H., Matsuo, Y., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jan 1 2016, In : Angewandte Chemie - International Edition. 55, 46, p. 14291-14295 5 p.

Research output: Contribution to journalArticle

101 Citations (Scopus)

Disilaruthena- and Ferracyclic Complexes Containing Isocyanide Ligands as Effective Catalysts for Hydrogenation of Unfunctionalized Sterically Hindered Alkenes

Sunada, Y., Ogushi, H., Yamamoto, T., Uto, S., Sawano, M., Tahara, A., Tanaka, H., Shiota, Y., Yoshizawa, K. & Nagashima, H., Mar 21 2018, In : Journal of the American Chemical Society. 140, 11, p. 4119-4134 16 p.

Research output: Contribution to journalArticle

17 Citations (Scopus)

Does Cob(II)alamin act as a conductor in coenzyme B12 dependent mutases?

Kozlowski, P. M., Kamachi, T., Toraya, T. & Yoshizawa, K., Feb 7 2007, In : Angewandte Chemie - International Edition. 46, 6, p. 980-983 4 p.

Research output: Contribution to journalArticle

53 Citations (Scopus)
66 Citations (Scopus)

Dual Catalytic Cycle of H2 and H2O Oxidations by a Half-Sandwich Iridium Complex: A Theoretical Study

Ikeda, K., Hori, Y., Mahyuddin, M. H., Shiota, Y., Staykov, A. T., Matsumoto, T., Yoshizawa, K. & Ogo, S., Jun 3 2019, In : Inorganic Chemistry. 58, 11, p. 7274-7284 11 p.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Effects of electron-phonon coupling on quantum interference in polyenes

Tsuji, Y. & Yoshizawa, K., Oct 7 2018, In : Journal of Chemical Physics. 149, 13, 134115.

Research output: Contribution to journalArticle

2 Citations (Scopus)

Efficient 1H NMR chiral discrimination of sulfoxides caused by the dynamic nature of (R,R)-3′,3″-biBINOL

Kawanami, T., Ishizuka, K., Furuno, H., Shiota, Y., Yoshizawa, K. & Inanaga, J., Nov 15 2017, In : Tetrahedron Asymmetry. 28, 11, p. 1587-1590 4 p.

Research output: Contribution to journalArticle

Electrical Conductance and Diode-Like Behavior of Substituted Azulene

El-Nahas, A. M., Staykov, A. & Yoshizawa, K., Feb 9 2017, In : Journal of Physical Chemistry C. 121, 5, p. 2504-2511 8 p.

Research output: Contribution to journalArticle

8 Citations (Scopus)

Electrical conductivity measurements of the plasma-polymerized 1-benzothiophene thin film

Nishio, S., Takeuchi, T., Matsuura, Y., Yoshizawa, K., Tanaka, K. & Yamabe, T., Feb 1992, In : Synthetic Metals. 46, 2, p. 243-250 8 p.

Research output: Contribution to journalArticle

13 Citations (Scopus)

Electrical conductivity of dithiophene-based diblock molecular junctions

El-Nahas, A. M., Gamea, A., El-Hendawy, M. M. & Yoshizawa, K., Jan 1 2017, In : Computational and Theoretical Chemistry. 1099, p. 64-74 11 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Electrochemical and photochemical cyclization and cycloreversion of diarylethenes and diarylethene-capped sexithiophene wires

Staykov, A., Areephong, J., Browne, W. R., Feringa, B. L. & Yoshizawa, K., Feb 22 2011, In : ACS nano. 5, 2, p. 1165-1178 14 p.

Research output: Contribution to journalArticle

71 Citations (Scopus)

Electrochemical oxidation of 1,3,5-tris(diphenylamino)benzene (TDAB) for polyradical material

Yoshizawa, K., Ito, A., Tanaka, K. & Yamabe, T., Sep 15 1994, In : Synthetic Metals. 66, 1, p. 81-83 3 p.

Research output: Contribution to journalArticle

1 Citation (Scopus)

Electron correlation effects and possible D6h structures in large cyclic polyenes

Yoshizawa, K., Kato, T. & Yamabe, T., Apr 4 1996, In : Journal of physical chemistry. 100, 14, p. 5697-5701 5 p.

Research output: Contribution to journalArticle

23 Citations (Scopus)

Electronic properties of polymers based on thienothiadiazole and thiophene

Bakhshi, A. K., Ago, H., Yoshizawa, K., Tanaka, K. & Yamabe, T., Jan 1 1996, In : Journal of Chemical Physics. 104, 14, p. 5528-5538 11 p.

Research output: Contribution to journalArticle

29 Citations (Scopus)

Electronic structure of TDAE-C60 complex

Hino, S., Umishita, K., Iwasaki, K., Tanaka, K., Sato, T., Yamabe, T., Yoshizawa, K. & Okahara, K., Jun 12 1997, In : Journal of Physical Chemistry A. 101, 24, p. 4346-4350 5 p.

Research output: Contribution to journalArticle

34 Citations (Scopus)

Electronic structures and band gaps of chains and sheets based on phenylacetylene units

Kondo, M., Nozaki, D., Tachibana, M., Yumura, T. & Yoshizawa, K., Jun 6 2005, In : Chemical Physics. 312, 1-3, p. 289-297 9 p.

Research output: Contribution to journalArticle

35 Citations (Scopus)

Electronic structures of gold nanowires

Hasegawa, A., Yoshizawa, K. & Hirao, K., Sep 21 2001, In : Chemical Physics Letters. 345, 5-6, p. 367-371 5 p.

Research output: Contribution to journalArticle

19 Citations (Scopus)

Electronic transport investigation of redox-switching of azulenequinones/hydroquinones: Via first-principles studies

Haidar, E. A., Tawfik, S. A., Stampfl, C., Hirao, K., Yoshizawa, K., El-Demerdash, S. H., Nakajima, T. & El-Nahas, A. M., 2019, In : Physical Chemistry Chemical Physics. 21, 32, p. 17859-17867 9 p.

Research output: Contribution to journalArticle

Electron-phonon coupling in negatively charged acene- and phenanthrene-edge-type hydrocarbon crystals

Kato, T., Yoshizawa, K. & Hirao, K., Feb 22 2002, In : Journal of Chemical Physics. 116, 8, p. 3420-3429 10 p.

Research output: Contribution to journalArticle

67 Citations (Scopus)

Electron-phonon coupling in the one-dimensional crystals of negatively charged [18]annulene

Yoshizawa, K., Kato, T. & Yamabe, T., Dec 1 1998, In : Journal of Chemical Physics. 109, 19, p. 8514-8520 7 p.

Research output: Contribution to journalArticle

12 Citations (Scopus)

Enantioselective Alkylation by Binaphthyl Chiral phase-transfer catalysts: A DFT-based conformational analysis

Kamachi, T. & Yoshizawa, K., Mar 17 2014, In : Organic Letters. 16, 2, p. 472-475 4 p.

Research output: Contribution to journalArticle

20 Citations (Scopus)

End-cap effects on vibrational structures of finite-length carbon nanotubes

Yumura, T., Nozaki, D., Bandow, S., Yoshizawa, K. & Iijima, S., Aug 24 2005, In : Journal of the American Chemical Society. 127, 33, p. 11769-11776 8 p.

Research output: Contribution to journalArticle

48 Citations (Scopus)

Energetic feasibility of hydrogen abstraction and recombination in coenzyme B12-dependent diol dehydratase reaction

Toraya, T., Eda, M., Kamachi, T. & Yoshizawa, K., Dec 2001, In : Journal of biochemistry. 130, 6, p. 865-872 8 p.

Research output: Contribution to journalArticle

26 Citations (Scopus)

Energetic mechanism of cytochrome c-cytochrome c oxidase electron transfer complex formation under turnover conditions revealed by mutational effects and docking simulation

Sato, W., Hitaoka, S., Inoue, K., Imai, M., Saio, T., Uchida, T., Shinzawa-Itoh, K., Yoshikawa, S., Yoshizawa, K. & Ishimori, K., Jul 15 2016, In : Journal of Biological Chemistry. 291, 29, p. 15320-15331 12 p.

Research output: Contribution to journalArticle

7 Citations (Scopus)
25 Citations (Scopus)

ESR of the Cationic Triradical of 1,3,5-Tris(diphenylamino)benzene

Yoshizawa, K., Chano, A., Ito, A., Tanaka, K., Yamabe, T., Fujita, H., Yamauchi, J. & Shiro, M., Jul 1 1992, In : Journal of the American Chemical Society. 114, 15, p. 5994-5998 5 p.

Research output: Contribution to journalArticle

119 Citations (Scopus)

ESR studies of electrochemically prepared poly(3-methylthienylene) films

Tanaka, K., Shichiri, T., Yoshizawa, K., Yamabe, T., Hotta, S., Shimotsuma, W., Yamauchi, J. & Deguchi, Y., Aug 1984, In : Solid State Communications. 51, 7, p. 565-567 3 p.

Research output: Contribution to journalArticle

20 Citations (Scopus)

ESR studies of polyacenic semiconductive material

Tanaka, K., Yoshizawa, K., Koike, T., Yamabe, T., Yamauchi, J., Deguchi, Y. & Yata, S., Oct 1984, In : Solid State Communications. 52, 3, p. 343-345 3 p.

Research output: Contribution to journalArticle

18 Citations (Scopus)

ESR study of TDAE-C60 and TDAE-C70 in solution

Yoshizawa, K., Sato, T., Tanaka, K., Yamabe, T. & Okahara, K., Oct 15 1993, In : Chemical Physics Letters. 213, 5-6, p. 498-502 5 p.

Research output: Contribution to journalArticle

26 Citations (Scopus)

Esterification of Tertiary Amides by Alcohols Through C−N Bond Cleavage over CeO2

Toyao, T., Nurnobi Rashed, M., Morita, Y., Kamachi, T., Hakim Siddiki, S. M. A., Ali, M. A., Touchy, A. S., Kon, K., Maeno, Z., Yoshizawa, K. & Shimizu, K. I., Jan 9 2019, In : ChemCatChem. 11, 1, p. 449-456 8 p.

Research output: Contribution to journalArticle

6 Citations (Scopus)

Experimental and theoretical evidence for nonheme iron(III) alkylperoxo species as sluggish oxidants in oxygenation reactions

Seo, M. S., Kamachi, T., Kouno, T., Murata, K., Park, M. J., Yoshizawa, K. & Nam, W., Jun 29 2007, In : Angewandte Chemie - International Edition. 46, 13, p. 2291-2294 4 p.

Research output: Contribution to journalArticle

51 Citations (Scopus)

Facile N-H bond cleavage of ammonia by an iridium complex bearing a noninnocent PNP-pincer type phosphaalkene ligand

Chang, Y. H., Nakajima, Y., Tanaka, H., Yoshizawa, K. & Ozawa, F., Aug 14 2013, In : Journal of the American Chemical Society. 135, 32, p. 11791-11794 4 p.

Research output: Contribution to journalArticle

70 Citations (Scopus)