Pureに変更を加えた場合、すぐここに表示されます。

研究成果 1983 2019

フィルター
記事
1997
3 引用 (Scopus)

Ab initio MO study of m-phenylenediamine and 2,4-diamino-1,3,5-triazine dication diradicals

Ito, A., Miyajima, H., Yoshizawa, K., Tanaka, K. & Yamabe, T., 3 15 1997, : : Synthetic Metals. 85, 1-3, p. 1777-1778 2 p.

研究成果: ジャーナルへの寄稿記事

Triazines
Aniline
Electronic structure
Cations
Polymers
15 引用 (Scopus)

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

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

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Methane
Diamond
Chemical activation
Atoms
24 引用 (Scopus)

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

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

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Oxygen
Enzymes
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
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
19 引用 (Scopus)

Ferromagnetic Interaction between Aminium Radical Centers through m-Phenylene and m-1,3,5-Triazinediyl

Ito, A., Miyajima, H., Yoshizawa, K., Tanaka, K. & Yamabe, T., 1 1 1997, : : Journal of Organic Chemistry. 62, 1, p. 38-43 6 p.

研究成果: ジャーナルへの寄稿記事

Triazines
Electronic structure
Cations
Polymers
Molecules
1 引用 (Scopus)

High-spin state instability in nitroxide triradical coupled through m-phenylene

Yoshizawa, K., Kuga, T., Hatanaka, M., Tanaka, K. & Yamabe, T., 3 15 1997, : : Synthetic Metals. 85, 1-3, p. 1765-1766 2 p.

研究成果: ジャーナルへの寄稿記事

Molecular orbitals
Electronic structure
molecular orbitals
electronic structure
perturbation
130 引用 (Scopus)

Lithium intercalation in TiO2 modifications

Nuspl, G., Yoshizawa, K. & Yamabe, T., 1 1 1997, : : Journal of Materials Chemistry. 7, 12, p. 2529-2536 8 p.

研究成果: ジャーナルへの寄稿記事

Intercalation
Lithium
Titanium dioxide
Orbital calculations
Polymorphism
24 引用 (Scopus)

Novel aspects of the [1,3] sigmatropic silyl shift in allylsilane

Yamabe, T., Nakamura, K., Shiota, Y., Yoshizawa, K., Kawauchi, S. & Ishikawa, M., 1 29 1997, : : Journal of the American Chemical Society. 119, 4, p. 807-815 9 p.

研究成果: ジャーナルへの寄稿記事

Silicon
Torsional stress
Orbital calculations
Molecular orbitals
Butenes
6 引用 (Scopus)
Magnetic couplings
Molecular orbitals
orbitals
Spin polarization
molecular orbitals
1 引用 (Scopus)

Possible D6h structures in neutral and negatively-charged cyclic polyenes

Yoshizawa, K., Kato, T. & Yamabe, T., 2 28 1997, : : Synthetic Metals. 86, 1-3, p. 2397-2398 2 p.

研究成果: ジャーナルへの寄稿記事

Polyenes
Electronic structure
electronic structure
perturbation
61 引用 (Scopus)

Possible intermediates for the conversion of methane to methanol on dinuclear iron centers of methane monooxygenase models

Yoshizawa, K., Yamabe, T. & Hoffmann, R., 12 1 1997, : : New Journal of Chemistry. 21, 2, p. 151-161 11 p.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Methane
Methanol
Iron
Peroxides
7 引用 (Scopus)

Possible nitrogen fixation by disilabutadiene

Yoshizawa, K., Shiota, Y., Kang, S. & Yamabe, T., 11 11 1997, : : Organometallics. 16, 23, p. 5058-5063 6 p.

研究成果: ジャーナルへの寄稿記事

Nitrogen fixation
nitrogenation
butadiene
Diels-Alder reactions
Activation energy
110 引用 (Scopus)

Reaction paths for the conversion of methane to methanol catalyzed by FeO+

Yoshizawa, K., Shiota, Y. & Yamabe, T., 1 1 1997, : : Chemistry - A European Journal. 3, 7, p. 1160-1169 10 p.

研究成果: ジャーナルへの寄稿記事

Methane
Methanol
Hydrogen
Potential energy surfaces
Molecular orbitals
7 引用 (Scopus)

Spin crossover in a one-dimensional iron chain

Yoshizawa, K., Miyajima, H. & Yamabe, T., 5 29 1997, : : Journal of Physical Chemistry B. 101, 22, p. 4383-4389 7 p.

研究成果: ジャーナルへの寄稿記事

crossovers
Iron
Electrons
iron
Triazoles
10 引用 (Scopus)

Structure and properties of deeply Li-doped Polyacenic Semiconductor (PAS)

Yamabe, T., Tanaka, K., Ago, H., Yoshizawa, K. & Yata, S., 2 28 1997, : : Synthetic Metals. 86, 1-3, p. 2411-2414 4 p.

研究成果: ジャーナルへの寄稿記事

Amorphous carbon
Semiconductor materials
lithium batteries
carbon
Doping (additives)
25 引用 (Scopus)

Theoretical study of lithium-doped polycyclic aromatic hydrocarbons

Ago, H., Nagata, K., Yoshizawa, K., Tanaka, K. & Yamabe, T., 8 29 1997, : : Bulletin of the Chemical Society of Japan. 70, 7, p. 1717-1726 10 p.

研究成果: ジャーナルへの寄稿記事

Polycyclic Aromatic Hydrocarbons
Lithium
Carbon
Atoms
Amorphous carbon
1996
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
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
24 引用 (Scopus)

Interlayer interactions in two-dimensional systems: Second-order effects causing ABAB stacking of layers in graphite

Yoshizawa, K., Kato, T. & Yamabe, T., 8 1 1996, : : Journal of Chemical Physics. 105, 5, p. 2099-2105 7 p.

研究成果: ジャーナルへの寄稿記事

Graphite
interlayers
graphite
Van der Waals forces
interactions
11 引用 (Scopus)

Magnetic Properties of 1,3,5-Tris[bis(p-methoxyphenyl)ainino]benzene Cation Radicals

Yoshizawa, K., Hatanaka, M., Ago, H., Tanaka, K. & Yamabe, T., 1 1 1996, : : Bulletin of the Chemical Society of Japan. 69, 5, p. 1417-1422 6 p.

研究成果: ジャーナルへの寄稿記事

Benzene
Cations
Magnetic properties
Ground state
Paramagnetic resonance
14 引用 (Scopus)

Through-Bond and Through-Space Interactions of Organic Radicals Coupled by m-Phenylene

Yoshizawa, K., Kuga, T., Sato, T., Hatanaka, M., Tanaka, K. & Yamabe, T., 1 1 1996, : : Bulletin of the Chemical Society of Japan. 69, 12, p. 3443-3450 8 p.

研究成果: ジャーナルへの寄稿記事

Conformations
Molecular orbitals
Benzene
Magnetic properties
Polymers
1995
18 引用 (Scopus)

ac magnetic susceptibility of TDAE-C60

Tanaka, K., Sato, T., Yoshizawa, K., Okahara, K., Yamabe, T. & Tokumoto, M., 5 5 1995, : : Chemical Physics Letters. 237, 1-2, p. 123-126 4 p.

研究成果: ジャーナルへの寄稿記事

Spin glass
Magnetic susceptibility
Phase transitions
magnetic permeability
spin glass
6 引用 (Scopus)

An ESR analysis of C60S16

Tanaka, K., Ago, H., Yoshizawa, K., Yamabe, T., Li, J. & Kitazawa, K., 3 24 1995, : : Chemical Physics Letters. 235, 3-4, p. 217-220 4 p.

研究成果: ジャーナルへの寄稿記事

Paramagnetic resonance
electron paramagnetic resonance
Anisotropy
anisotropy
Molecules
15 引用 (Scopus)
Charge density waves
Time varying systems
systems analysis
Electron transitions
Fermi level
6 引用 (Scopus)

Jahn-Teller distortion and possible electron pairing in molecular systems

Yamabe, T., Yoshizawa, K., Matsuura, Y. & Tanaka, K., 1 1 1995, : : Synthetic Metals. 75, 1, p. 55-60 6 p.

研究成果: ジャーナルへの寄稿記事

Jahn-Teller effect
Electron-electron interactions
Electrons
Molecular orbitals
Superconductivity
1 引用 (Scopus)

Molecular orbital study on cationic states of triphenylene and 1,3,5-tris(diphenylamino)benzene as a design of charge-transfer organic ferromagnets

Yoshizawa, K., Hatanaka, M., Tanaka, K. & Yamabe, T., 4 1 1995, : : Synthetic Metals. 71, 1-3, p. 1829-1830 2 p.

研究成果: ジャーナルへの寄稿記事

Molecular orbitals
Benzene
Charge transfer
molecular orbitals
benzene
60 引用 (Scopus)

n-Alkyl Group-Substituted Poly(m-aniline)s: Syntheses and Magnetic Properties

Ito, A., Ota, K. I., Tanaka, K., Yamabe, T. & Yoshizawa, K., 7 1 1995, : : Macromolecules. 28, 16, p. 5618-5625 8 p.

研究成果: ジャーナルへの寄稿記事

Aniline
Magnetic properties
Polymers
Solubility
Derivatives
59 引用 (Scopus)

Potential Linear‐Chain Organic Ferromagnets

Yoshizawa, K. & Hoffmann, R., 1 1 1995, : : Chemistry – A European Journal. 1, 7, p. 403-413 11 p.

研究成果: ジャーナルへの寄稿記事

Conjugated polymers
Benzene
Electronic properties
Band structure
Structural properties
4 引用 (Scopus)

Study on magnetic properties of triaminobenzenes toward charge-transfer organic ferromagnets

Yoshizawa, K., Hatanaka, M., Tanaka, K. & Yamabe, T., 4 1 1995, : : Synthetic Metals. 71, 1-3, p. 1831-1832 2 p.

研究成果: ジャーナルへの寄稿記事

Charge transfer
Magnetic properties
charge transfer
magnetic properties
Benzene
94 引用 (Scopus)

The Role of Orbital Interactions in Determining Ferromagnetic Coupling in Organic Molecular Assemblies

Yoshizawa, K. & Hoffmann, R., 1 1 1995, : : Journal of the American Chemical Society. 117, 26, p. 6921-6926 6 p.

研究成果: ジャーナルへの寄稿記事

Space Simulation
Molecular orbitals
Electrons
Electron correlations
Spin polarization
18 引用 (Scopus)

Weak suppression of ferromagnetism in tetrakis(dimethylamino)ethylene-(C60)1-x(C70)x

Tanaka, K., Sato, T., Yamabe, T., Yoshizawa, K., Okahara, K. & Zakhidov, A. A., 1 1 1995, : : Physical Review B. 51, 2, p. 990-995 6 p.

研究成果: ジャーナルへの寄稿記事

ferromagnetism
ethylene
retarding
magnetization
Curie temperature
1994
23 引用 (Scopus)

Ab initio MO study of diphenylamine derivatives: diphenylamine, diphenylaminium, diphenylaminyl and diphenylnitroxide

Ito, A., Ota, K. I., Yoshizawa, K., Tanaka, K. & Yamabe, T., 6 10 1994, : : Chemical Physics Letters. 223, 1-2, p. 27-34 8 p.

研究成果: ジャーナルへの寄稿記事

Diphenylamine
Conformations
Derivatives
Molecules
Molecular orbitals
32 引用 (Scopus)

Ab initio study on quartet states of non-Kekulé-type molecules 1,3,5-trimethylenebenzene and 1,3,5-triaminobenzene trication

Yoshizawa, K., Hatanaka, M., Matsuzaki, Y., Tanaka, K. & Yamabe, T., 1 1 1994, : : The Journal of Chemical Physics. 100, 6, p. 4453-4458 6 p.

研究成果: ジャーナルへの寄稿記事

Molecules
Geometry
geometry
molecules
Molecular orbitals
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
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
13 引用 (Scopus)

Magnetic heat capacity of TDAE-C60

Tanaka, K., Tanaka, T., Atake, T., Yoshizawa, K., Okahara, K., Sato, T. & Yamabe, T., 11 25 1994, : : Chemical Physics Letters. 230, 3, p. 271-275 5 p.

研究成果: ジャーナルへの寄稿記事

Specific heat
Entropy
specific heat
Jahn-Teller effect
Calorimeters
61 引用 (Scopus)

Molecular orbital study of pyrolytic carbons based on small cluster models

Yoshizawa, K., Okahara, K., Sato, T., Tanaka, K. & Yamabe, T., 1 1 1994, : : Carbon. 32, 8, p. 1517-1522 6 p.

研究成果: ジャーナルへの寄稿記事

Carbon clusters
Molecular orbitals
Polyacetylenes
Orbital calculations
Carbon
1993
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
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
20 引用 (Scopus)

Magnetic properties of higher fullerides TDAE-C84, -C90 and -C96

Tanaka, K., Zakhidov, A. A., Yoshizawa, K., Okahara, K., Yamabe, T., Kikuchi, K., Suzuki, S., Ikemoto, I. & Achiba, Y., 1 1 1993, : : Solid State Communications. 85, 1, p. 69-72 4 p.

研究成果: ジャーナルへの寄稿記事

fullerides
Magnetic properties
Ethylene
ethylene
magnetic properties
126 引用 (Scopus)

Magnetic properties of TDAE-C60 and TDAE-C70, where TDAE is tetrakis(dimethylamino)ethylene

Tanaka, K., Zakhidov, A. A., Yoshizawa, K., Okahara, K., Yamabe, T., Yakushi, K., Kikuchi, K., Suzuki, S., Ikemoto, I. & Achiba, Y., 1 1 1993, : : Physical Review B. 47, 12, p. 7554-7559 6 p.

研究成果: ジャーナルへの寄稿記事

ethylene
magnetic properties
electron paramagnetic resonance
ferromagnetism
fullerenes
26 引用 (Scopus)

Magnetic property of soluble poly(m-aniline)

Yoshizawa, K., Ito, A., Tanaka, K. & Yamabe, T., 1 1 1993, : : Solid State Communications. 87, 10, p. 935-937 3 p.

研究成果: ジャーナルへの寄稿記事

Aniline
aniline
Magnetic susceptibility
Magnetization
Magnetic properties
11 引用 (Scopus)

Molecular orbital study on qu artet molecules with trigonal axis of symmetry

Yoshizawa, K., Hatanaka, M., Ito, A., Tanaka, K. & Yamabe, T., 8 1 1993, : : Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals. 232, 1, p. 323-332 10 p.

研究成果: ジャーナルへの寄稿記事

Molecular orbitals
molecular orbitals
Benzene
Molecules
Geometry
31 引用 (Scopus)

Quartet states of non-kekulé molecules 1,3,5-trimethylenebenzene and 1,3,5-triaminobenzene trication

Yoshizawa, K., Hatanaka, M., Ito, A., Tanaka, K. & Yamabe, T., 2 5 1993, : : Chemical Physics Letters. 202, 6, p. 483-488 6 p.

研究成果: ジャーナルへの寄稿記事

Molecules
Geometry
geometry
molecules
Molecular orbitals
15 引用 (Scopus)

Raman scattering in ferromagnetic TDAE-C60 compared to TDAE-C70

Denisov, V. N., Zakhidov, A. A., Ruani, G., Zamboni, R., Taliani, C., Tanaka, K., Yoshizawa, K., Okahara, T., Yamabe, T. & Achiba, Y., 4 5 1993, : : Synthetic Metals. 56, 2-3, p. 3050-3056 7 p.

研究成果: ジャーナルへの寄稿記事

Raman scattering
Raman spectra
Electron-phonon interactions
Laser excitation
Electrons
9 引用 (Scopus)

Suppression of magnetism of TDAE-(C60)1-x(C70)x molecular alloys

Tanaka, K., Yoshizawa, K., Sato, T., Yamabe, T., Okahara, K. & Zakhidov, A. A., 1 1 1993, : : Solid State Communications. 87, 11, p. 1055-1059 5 p.

研究成果: ジャーナルへの寄稿記事

Magnetism
Magnetic properties
retarding
magnetic properties
Curie temperature
2 引用 (Scopus)
self consistent fields
Crystals
Fermi level
forbidden bands
orbitals
1992
32 引用 (Scopus)

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

Yoshizawa, K., Takata, A., Tanaka, K. & Yamabe, T., 1 1 1992, : : Polymer Journal. 24, 9, p. 857-864 8 p.

研究成果: ジャーナルへの寄稿記事

Aniline
Nitrogen
Crystals
Spin polarization
Ferromagnetism