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研究成果 1983 2019

1996
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
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
1998
9 引用 (Scopus)

Ab Initio CASSCF Study on Doublet and Quartet States of l,3,5-Tris(methylene)benzene and 1,3,5-Benzenetriamine Trication

Ito, A., Taniguchi, A., Yoshizawa, K., Tanaka, K. & Yamabe, T., 1 1 1998, : : Bulletin of the Chemical Society of Japan. 71, 2, p. 337-343 7 p.

研究成果: ジャーナルへの寄稿記事

Jahn-Teller effect
Benzene
Stars
Contamination
Topology
106 引用 (Scopus)

Abstraction of the hydrogen atom of methane by iron-oxo species: The concerted reaction path is energetically more favorable

Yoshizawa, K., Shiota, Y. & Yamabe, T., 6 22 1998, : : Organometallics. 17, 13, p. 2825-2831 7 p.

研究成果: ジャーナルへの寄稿記事

Alkanes
Methane
alkanes
Hydrogen
hydrogen atoms
42 引用 (Scopus)

Analysis of photoinduced magnetization in a (Co, Fe) Prussian blue model

Yoshizawa, K., Mohri, F., Nuspl, G. & Yamabe, T., 7 9 1998, : : Journal of Physical Chemistry B. 102, 28, p. 5432-5437 6 p.

研究成果: ジャーナルへの寄稿記事

Magnetization
Ions
magnetization
Ground state
electron transfer
69 引用 (Scopus)

Bandgap oscillation in polyphenanthrenes

Yoshizawa, K., Yahara, K., Tanaka, K. & Yamabe, T., 1 15 1998, : : Journal of Physical Chemistry B. 102, 3, p. 498-506 9 p.

研究成果: ジャーナルへの寄稿記事

phenanthrene
Ladders
ladders
Electronic structure
Polymers
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
7 引用 (Scopus)

Hydrocarbon Anions with High Stability. Part 2.1} Structure and Stability of Cyclopentadienide Ions with Condensed Aromatic Rings

Kinoshita, T., Fujita, M., Kaneko, H., Takeuchi, K., Yoshizawa, K. & Yamabe, T., 1 1 1998, : : Bulletin of the Chemical Society of Japan. 71, 5, p. 1145-1149 5 p.

研究成果: ジャーナルへの寄稿記事

Hydrocarbons
Anions
Solvation
Ions
Gases
10 引用 (Scopus)

Lithium Diffusion in LixCoO2 Electrode Materials

Nuspl, G., Nagaoka, M., Yoshizawa, K., Mohri, F. & Yamabe, T., 1 1 1998, : : Bulletin of the Chemical Society of Japan. 71, 9, p. 2259-2265 7 p.

研究成果: ジャーナルへの寄稿記事

Lithium
Electrodes
Ions
Molecular mechanics
Potential energy
45 引用 (Scopus)

Methane Hydroxylation on a Diiron Model of Soluble Methane Monooxygenase

Yoshizawa, K., Ohta, T. & Yamabe, T., 1 1 1998, : : Bulletin of the Chemical Society of Japan. 71, 8, p. 1899-1909 11 p.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Hydroxylation
Methane
Methanol
Iron
153 引用 (Scopus)
Methane
Methanol
Theoretical Models
Activation energy
Potential energy surfaces
methane monooxygenase
Methane
Methanol
Hydroxylation
Chemical activation
7 引用 (Scopus)

Second-Order Perturbational Effect on the Interlayer Interactions in Graphite and Graphite Intercalation Compounds

Yoshizawa, K., Kato, T. & Yamabe, T., 1 1 1998, : : Bulletin of the Chemical Society of Japan. 71, 9, p. 2087-2095 9 p.

研究成果: ジャーナルへの寄稿記事

Intercalation compounds
Graphite
Fermi level
23 引用 (Scopus)

Synthesis and platinum- and palladium-catalyzed reactions of benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene)

Naka, A., Yoshizawa, K., Kang, S., Yamabe, T. & Ishikawa, M., 12 21 1998, : : Organometallics. 17, 26, p. 5830-5835 6 p.

研究成果: ジャーナルへの寄稿記事

Acetylene
Palladium
Platinum
adducts
palladium
60 引用 (Scopus)
methane monooxygenase
Hydroxylation
Alkanes
Methane
Catalytic Domain
32 引用 (Scopus)

Vibronic coupling and Jahn-Teller effect in negatively charged benzene and [18]annulene

Yoshizawa, K., Kato, T. & Yamabe, T., 5 8 1998, : : Journal of Chemical Physics. 108, 18, p. 7637-7644 8 p.

研究成果: ジャーナルへの寄稿記事

Jahn-Teller effect
Benzene
benzene
Stretching
vibration mode
15 引用 (Scopus)

Vibronic interactions in silicon polyhedra of the Si46 clathrate compound

Yoshizawa, K., Kato, T., Tachibana, M. & Yamabe, T., 12 3 1998, : : Journal of Physical Chemistry A. 102, 49, p. 10113-10119 7 p.

研究成果: ジャーナルへの寄稿記事

Jahn-Teller effect
clathrates
Silicon
polyhedrons
Superconductivity
1999
22 引用 (Scopus)

Ab initio study on interaction and stability of lithium-doped amorphous carbons

Ago, H., Kato, M., Yahara, K., Yoshizawa, K., Tanaka, K. & Yamabe, T., 4 1 1999, : : Journal of the Electrochemical Society. 146, 4, p. 1262-1269 8 p.

研究成果: ジャーナルへの寄稿記事

Amorphous carbon
Molecular orbitals
Lithium
Carbon
lithium
7 引用 (Scopus)

A second-order effect causing the layer structure of arsenic

Yoshizawa, K., Yumura, T. & Yamabe, T., 6 15 1999, : : Journal of Chemical Physics. 110, 23, p. 11534-11541 8 p.

研究成果: ジャーナルへの寄稿記事

Arsenic
arsenic
Fermi level
Germanium
Jahn-Teller effect
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
201 引用 (Scopus)
Potential energy surfaces
Methane
Methanol
methane
Iron
36 引用 (Scopus)

Inversion of methane on transition-metal complexes: A possible mechanism for inversion of stereochemistry

Yoshizawa, K., Suzuki, A. & Yamabe, T., 6 9 1999, : : Journal of the American Chemical Society. 121, 22, p. 5266-5273 8 p.

研究成果: ジャーナルへの寄稿記事

Stereochemistry
Coordination Complexes
Methane
Metal complexes
Transition metals
1 引用 (Scopus)

Jahn-Teller effect and possible superconductivity in [18]annulene

Kato, T., Yoshizawa, K. & Yamabe, T., 1 1 1999, : : Synthetic Metals. 101, 1, p. 583-584 2 p.

研究成果: ジャーナルへの寄稿Conference article

Jahn-Teller effect
Superconductivity
superconductivity
methylidyne
Crystals
36 引用 (Scopus)

Jahn-Teller effects in the coronene anions and cations

Kato, T., Yoshizawa, K. & Yamabe, T., 12 1 1999, : : Journal of Chemical Physics. 110, 1, p. 249-255 7 p.

研究成果: ジャーナルへの寄稿記事

Jahn-Teller effect
Anions
Cations
Stretching
anions
36 引用 (Scopus)

Lithium ion migration pathways in LiTi2(PO4)3 and related materials

Nuspl, G., Takeuchi, T., Weiß, A., Kageyama, H., Yoshizawa, K. & Yamabe, T., 11 15 1999, : : Journal of Applied Physics. 86, 10, p. 5484-5491 8 p.

研究成果: ジャーナルへの寄稿記事

lithium
molecular dynamics
ions
solid electrolytes
potential energy
22 引用 (Scopus)

Nickel-Catalyzed Reactions of Benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene) with Alkynes and Ketones

Naka, A., Lee, K. K., Yoshizawa, K., Yamabe, T. & Ishikawa, M., 10 25 1999, : : Organometallics. 18, 22, p. 4524-4529 6 p.

研究成果: ジャーナルへの寄稿記事

Alkynes
alkynes
Nickel
Ketones
ketones
8 引用 (Scopus)

Orbital interactions and solvent effects determining the stability of condensed cyclopentadienides in solution

Yoshizawa, K., Yahara, K., Taniguchi, A., Yamabe, T., Kinoshita, T. & Takeuchi, K., 4 16 1999, : : Journal of Organic Chemistry. 64, 8, p. 2821-2829 9 p.

研究成果: ジャーナルへの寄稿記事

Ionization potential
Hardness
Isomers
Electrons
Oxidation
10 引用 (Scopus)

Palladium- and platinum-catalyzed reactions of benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene) with alkenes

Naka, A., Koo Lee, K., Yoshizawa, K., Yamabe, T. & Ishikawa, M., 9 15 1999, : : Journal of Organometallic Chemistry. 587, 1, p. 1-8 8 p.

研究成果: ジャーナルへの寄稿記事

Styrene
Palladium
Alkenes
Platinum
Isomers
86 引用 (Scopus)

Reaction pathway for the direct benzene hydroxylation by iron-oxo species

Yoshizawa, K., Shiota, Y. & Yamabe, T., 1 13 1999, : : Journal of the American Chemical Society. 121, 1, p. 147-153 7 p.

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Benzene
Iron
Potential energy surfaces
Methane
8 引用 (Scopus)

The B(1u) and B(2u) vibrational modes causing a D(6h) to D(3h) transition in benzene and in [18]- and [30]annulenes

Yoshizawa, K., Tachibana, M. & Yamabe, T., 4 1999, : : Bulletin of the Chemical Society of Japan. 72, 4, p. 697-700 4 p.

研究成果: ジャーナルへの寄稿記事

Benzene
Carbon
Polyenes
10 引用 (Scopus)

Thermal Addition of Disilacyclobutenes and Acetylene: A Theoretical Study on Diels-Alder Type Reactions

Yoshizawa, K., Kang, S. Y., Yamabe, T., Naka, A. & Ishikawa, M., 10 25 1999, : : Organometallics. 18, 22, p. 4637-4645 9 p.

研究成果: ジャーナルへの寄稿記事

Acetylene
acetylene
rings
butadiene
Addition reactions
7 引用 (Scopus)

Vibronic coupling and Jahn-Teller effects in negatively charged [30]annulene

Kato, T., Yoshizawa, K. & Yamabe, T., 9 1 1999, : : Chemical Physics. 247, 3, p. 375-386 12 p.

研究成果: ジャーナルへの寄稿記事

Jahn-Teller effect
Benzene
vibration mode
benzene
Vibrational spectra
5 引用 (Scopus)

Vibronic interactions in the C36 tri- and tetra-anions

Yoshizawa, K., Tachibana, M. & Yamabe, T., 12 8 1999, : : Journal of Chemical Physics. 111, 22, p. 10088-10092 5 p.

研究成果: ジャーナルへの寄稿記事

Anions
anions
Molecular orbitals
Jahn-Teller effect
molecular orbitals
2000
8 引用 (Scopus)

An ab initio study on the structure and reactivity of 1,4-disilabenzene

Kang, S. Y., Yoshizawa, K., Yamabe, T., Naka, A. & Ishikawa, M., 10 6 2000, : : Journal of Organometallic Chemistry. 611, 1-2, p. 280-287 8 p.

研究成果: ジャーナルへの寄稿記事

Conversion Disorder
Acetylene
Cycloaddition Reaction
reactivity
Activation energy