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研究成果 1983 2019

記事
62 引用 (Scopus)

Dependence of single-molecule conductance on molecule junction symmetry

Taniguchi, M., Tsutsui, M., Mogi, R., Sugawara, T., Tsuji, Y., Yoshizawa, K. & Kawai, T., 8 3 2011, : : Journal of the American Chemical Society. 133, 30, p. 11426-11429 4 p.

研究成果: ジャーナルへの寄稿記事

Sulfur
Gold
Electrodes
Molecules
Atoms
10 引用 (Scopus)

Design of one-dimensional ferromagnet based on polyacetylene chain

Yoshizawa, K., Tanaka, K. & Yamabe, T., 10 1 1993, : : Synthetic Metals. 60, 3, p. 279-283 5 p.

研究成果: ジャーナルへの寄稿記事

Polyacetylenes
polyacetylene
Orbital calculations
Molecular orbitals
molecular orbitals
3 引用 (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., 12 1 2007, : : Bulletin of the Chemical Society of Japan. 80, 12, p. 2323-2328 6 p.

研究成果: ジャーナルへの寄稿記事

Density functional theory
Chemical activation
Bond length
Electronic properties
Structural properties
4 引用 (Scopus)

DFT calculations of cubane-type Mo2Ru2S4 clusters. Stability of a possible dinitrogen cluster and an isolable acetonitrile cluster

Yoshizawa, K., Kihara, N., Shiota, Y., Seino, H. & Mizobe, Y., 11 7 2006, : : Bulletin of the Chemical Society of Japan. 79, 1, p. 53-58 6 p.

研究成果: ジャーナルへの寄稿記事

Discrete Fourier transforms
Ground state
Chemical activation
Ligands
Molecular orbitals
3 引用 (Scopus)

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

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

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Methane
Density functional theory
Methanol
Chemical activation

DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase

Huang, S. P., Shiota, Y. & Yoshizawa, K., 2011, : : Unknown Journal.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Hydroxylation
Methane
Discrete Fourier transforms
Model structures
20 引用 (Scopus)
methane monooxygenase
Hydroxylation
Methane
Density functional theory
Oxidation
32 引用 (Scopus)
Nitrogen Fixation
Ammonia
Discrete Fourier transforms
Ligands
Chemical activation
17 引用 (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., 4 20 2009, : : Inorganic Chemistry. 48, 8, p. 3875-3881 7 p.

研究成果: ジャーナルへの寄稿記事

Hydrides
hydrides
Density functional theory
cleavage
Chemical activation
6 引用 (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. T., Shiota, Y. & Yoshizawa, K., 8 20 2018, : : Inorganic Chemistry. 57, 16, p. 10146-10152 7 p.

研究成果: ジャーナルへの寄稿記事

Zeolites
Chemical activation
activation
Oxygen
Methane
49 引用 (Scopus)

Dioxygen Binding to Dinuclear Iron Centers on Methane Monooxygenase Models

Yoshizawa, K. & Hoffmann, R., 12 1 1996, : : Inorganic Chemistry. 35, 9, p. 2409-2410 2 p.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
methane
Iron
Oxygen
iron
81 引用 (Scopus)

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

Yoshizawa, K., Ohta, T., Yamabe, T. & Hoffmann, R., 12 17 1997, : : Journal of the American Chemical Society. 119, 50, p. 12311-12321 11 p.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Methane
Theoretical Models
Carbon
Enzymes
45 引用 (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., 12 2 2016, : : ACS Catalysis. 6, 12, p. 8321-8331 11 p.

研究成果: ジャーナルへの寄稿記事

Methane
Methanol
Metals
Catalyst activity
Activation energy
6 引用 (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., 11 2 2016, : : Journal of the American Chemical Society. 138, 43, p. 14170-14173 4 p.

研究成果: ジャーナルへの寄稿記事

Chirality
Electrons
Polarization
Ligands
Crystals
118 引用 (Scopus)
Methane
Phenol
Benzene
phenols
Phenols
39 引用 (Scopus)

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

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

研究成果: ジャーナルへの寄稿記事

Propanediol Dehydratase
Catalysis
Hydroxyl Radical
Potassium
Ions
77 引用 (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., 1 1 2016, : : Angewandte Chemie - International Edition. 55, 46, p. 14291-14295 5 p.

研究成果: ジャーナルへの寄稿記事

Bearings (structural)
hydrazine
Cobalt
Ammonia
Ligands
14 引用 (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., 3 21 2018, : : Journal of the American Chemical Society. 140, 11, p. 4119-4134 16 p.

研究成果: ジャーナルへの寄稿記事

Hydrogenation
Cyanides
Alkenes
Olefins
Ligands
52 引用 (Scopus)

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

Kozlowski, P. M., Kamachi, T., Toraya, T. & Yoshizawa, K., 2 7 2007, : : Angewandte Chemie - International Edition. 46, 6, p. 980-983 4 p.

研究成果: ジャーナルへの寄稿記事

Intramolecular Transferases
Coenzymes
Discrete Fourier transforms
Atoms
corrin
62 引用 (Scopus)
Epoxidation
Alkenes
Oxidants
Cytochrome P-450 Enzyme System
Density functional theory

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., 6 3 2019, : : Inorganic Chemistry. 58, 11, p. 7274-7284 11 p.

研究成果: ジャーナルへの寄稿記事

Iridium
iridium
Oxidation
oxidation
cycles
1 引用 (Scopus)

Effects of electron-phonon coupling on quantum interference in polyenes

Tsuji, Y. & Yoshizawa, K., 10 7 2018, : : Journal of Chemical Physics. 149, 13, 134115.

研究成果: ジャーナルへの寄稿記事

Polyenes
interference
Atoms
Electrons
Electrodes

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., 11 15 2017, : : Tetrahedron Asymmetry. 28, 11, p. 1587-1590 4 p.

研究成果: ジャーナルへの寄稿記事

Sulfoxides
Chirality
chirality
Discrete Fourier transforms
Dimers
6 引用 (Scopus)

Electrical Conductance and Diode-Like Behavior of Substituted Azulene

El-Nahas, A. M., Staykov, A. T. & Yoshizawa, K., 2 9 2017, : : Journal of Physical Chemistry C. 121, 5, p. 2504-2511 8 p.

研究成果: ジャーナルへの寄稿記事

azulene
Green's function
Density functional theory
Diodes
diodes
13 引用 (Scopus)

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

Nishio, S., Takeuchi, T., Matsuura, Y., Yoshizawa, K., Tanaka, K. & Yamabe, T., 1 1 1992, : : Synthetic Metals. 46, 2, p. 243-250 8 p.

研究成果: ジャーナルへの寄稿記事

Iodine
Plasmas
conduction
Thin films
electrical resistivity
1 引用 (Scopus)

Electrical conductivity of dithiophene-based diblock molecular junctions

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

研究成果: ジャーナルへの寄稿記事

Electric Conductivity
thiols
electrical resistivity
rectification
Hamiltonians
64 引用 (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., 2 22 2011, : : ACS nano. 5, 2, p. 1165-1178 14 p.

研究成果: ジャーナルへの寄稿記事

Cyclization
Discrete Fourier transforms
Ground state
Paramagnetic resonance
wire
1 引用 (Scopus)

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

Yoshizawa, K., Ito, A., Tanaka, K. & Yamabe, T., 9 15 1994, : : Synthetic Metals. 66, 1, p. 81-83 3 p.

研究成果: ジャーナルへの寄稿記事

electrochemical oxidation
Electrochemical oxidation
Benzene
Cations
Positive ions
23 引用 (Scopus)

Electron correlation effects and possible D6h structures in large cyclic polyenes

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

研究成果: ジャーナルへの寄稿記事

Polyenes
Electron correlations
alternations
Bond length
subgroups
28 引用 (Scopus)

Electronic properties of polymers based on thienothiadiazole and thiophene

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

研究成果: ジャーナルへの寄稿記事

Thiophenes
thiophenes
oligomers
Oligomers
Electronic properties
33 引用 (Scopus)

Electronic structure of TDAE-C60 complex

Hino, S., Umishita, K., Iwasaki, K., Tanaka, K., Sato, T., Yamabe, T., Yoshizawa, K. & Okahara, K., 6 12 1997, : : Journal of Physical Chemistry A. 101, 24, p. 4346-4350 5 p.

研究成果: ジャーナルへの寄稿記事

Electronic structure
electronic structure
Charge density waves
X rays
Orbital calculations
32 引用 (Scopus)

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

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

研究成果: ジャーナルへの寄稿記事

Electronic structure
Energy gap
electronic structure
orbitals
Electric conductance
19 引用 (Scopus)

Electronic structures of gold nanowires

Hasegawa, A., Yoshizawa, K. & Hirao, K., 9 21 2001, : : Chemical Physics Letters. 345, 5-6, p. 367-371 5 p.

研究成果: ジャーナルへの寄稿記事

Gold
Nanowires
Electronic structure
nanowires
gold

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., 1 1 2019, : : Physical Chemistry Chemical Physics. 21, 32, p. 17859-17867 9 p.

研究成果: ジャーナルへの寄稿記事

Hydroquinones
azulene
electronics
Oxidation
oxidation
66 引用 (Scopus)

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

Kato, T., Yoshizawa, K. & Hirao, K., 2 22 2002, : : Journal of Chemical Physics. 116, 8, p. 3420-3429 10 p.

研究成果: ジャーナルへの寄稿記事

phenanthrene
Hydrocarbons
hydrocarbons
Crystals
Electrons
12 引用 (Scopus)

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

Yoshizawa, K., Kato, T. & Yamabe, T., 12 1 1998, : : Journal of Chemical Physics. 109, 19, p. 8514-8520 7 p.

研究成果: ジャーナルへの寄稿記事

Superconductivity
methylidyne
Jahn-Teller effect
Crystals
Electrons
17 引用 (Scopus)

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

Kamachi, T. & Yoshizawa, K., 3 17 2014, : : Organic Letters. 16, 2, p. 472-475 4 p.

研究成果: ジャーナルへの寄稿記事

alkylation
Alkylation
Density functional theory
density functional theory
catalysts
46 引用 (Scopus)

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

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

研究成果: ジャーナルへの寄稿記事

Nanotubes
Carbon Nanotubes
Vibrational spectra
Polyenes
Carbon nanotubes
26 引用 (Scopus)

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

Toraya, T., Eda, M., Kamachi, T. & Yoshizawa, K., 1 1 2001, : : Journal of Biochemistry. 130, 6, p. 865-872 8 p.

研究成果: ジャーナルへの寄稿記事

Propanediol Dehydratase
Genetic Recombination
Hydrogen
Substrates
Propylene Glycol
5 引用 (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., 7 15 2016, : : Journal of Biological Chemistry. 291, 29, p. 15320-15331 12 p.

研究成果: ジャーナルへの寄稿記事

Electron Transport Complex IV
Cytochromes c
Static Electricity
Free energy
Electrons
25 引用 (Scopus)
Hydroxylation
Alkanes
Cytochrome P-450 Enzyme System
Iron
Oxygen
118 引用 (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., 7 1 1992, : : Journal of the American Chemical Society. 114, 15, p. 5994-5998 5 p.

研究成果: ジャーナルへの寄稿記事

Benzene
Paramagnetic resonance
trifluoroacetic anhydride
Cyclic voltammetry
Glass
20 引用 (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., 1 1 1984, : : Solid State Communications. 51, 7, p. 565-567 3 p.

研究成果: ジャーナルへの寄稿記事

perchlorates
iodides
Paramagnetic resonance
conduction
defects
18 引用 (Scopus)

ESR studies of polyacenic semiconductive material

Tanaka, K., Yoshizawa, K., Koike, T., Yamabe, T., Yamauchi, J., Deguchi, Y. & Yata, S., 1 1 1984, : : Solid State Communications. 52, 3, p. 343-345 3 p.

研究成果: ジャーナルへの寄稿記事

Aromatic polymers
Paramagnetic resonance
Formaldehyde
phenol formaldehyde
Phenols
26 引用 (Scopus)

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

Yoshizawa, K., Sato, T., Tanaka, K., Yamabe, T. & Okahara, K., 10 15 1993, : : Chemical Physics Letters. 213, 5-6, p. 498-502 5 p.

研究成果: ジャーナルへの寄稿記事

Paramagnetic resonance
electron paramagnetic resonance
solid phases
ethylene
4 引用 (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., 1 9 2019, : : ChemCatChem. 11, 1, p. 449-456 8 p.

研究成果: ジャーナルへの寄稿記事

Arrhenius plots
Energy barriers
Esterification
Temperature programmed desorption
Amides
50 引用 (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., 6 29 2007, : : Angewandte Chemie - International Edition. 46, 13, p. 2291-2294 4 p.

研究成果: ジャーナルへの寄稿記事

Oxygenation
Oxidants
Iron
Substrates
Amines
64 引用 (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., 8 14 2013, : : Journal of the American Chemical Society. 135, 32, p. 11791-11794 4 p.

研究成果: ジャーナルへの寄稿記事

Bearings (structural)
Iridium
Ammonia
Ligands
Discrete Fourier transforms
38 引用 (Scopus)

Femtosecond Dynamics of the Methane - Methanol and Benzene - Phenol Conversions by an Iron - Oxo Species

Yoshizawa, K., Shiota, Y., Kagawa, Y. & Yamabe, T., 3 30 2000, : : Journal of Physical Chemistry A. 104, 12, p. 2552-2561 10 p.

研究成果: ジャーナルへの寄稿記事

Methane
Phenol
Benzene
phenols
Methanol
34 引用 (Scopus)

Ferromagnetic coupling through m-phenylene. Molecular and crystal orbital study

Yoshizawa, K., Tanaka, K. & Yamabe, T., 1 1 1994, : : Journal of Physical Chemistry. 98, 7, p. 1851-1855 5 p.

研究成果: ジャーナルへの寄稿記事

Orbital calculations
Molecular orbitals
configuration interaction
molecular orbitals
orbitals