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研究成果 1983 2019

フィルター
記事
2000
25 引用 (Scopus)
Hydroxylation
Alkanes
Cytochrome P-450 Enzyme System
Iron
Oxygen
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
59 引用 (Scopus)

Formation of an iron-oxo species upon decomposition of dinitrogen oxide on a model of Fe-ZSM-5 zeolite

Yoshizawa, K., Yumura, T., Shiota, Y. & Yamabe, T., 1 1 2000, : : Bulletin of the Chemical Society of Japan. 73, 1, p. 29-36 8 p.

研究成果: ジャーナルへの寄稿記事

Oxides
Iron
Oxygen
Decomposition
Methane
48 引用 (Scopus)

Kinetic isotope effects in a C-H bond dissociation by the iron-oxo species of cytochrome P450

Yoshizawa, K., Kagawa, Y. & Shiota, Y., 12 1 2000, : : Journal of Physical Chemistry B. 104, 51, p. 12365-12370 6 p.

研究成果: ジャーナルへの寄稿記事

cytochromes
Isotopes
isotope effect
Cytochrome P-450 Enzyme System
Iron
198 引用 (Scopus)
Methane
Oxides
Transition metals
Methanol
Metals
46 引用 (Scopus)

Reaction pathways for the oxidation of methanol to formaldehyde by an iron-oxo species

Yoshizawa, K. & Kagawa, Y., 10 19 2000, : : Journal of Physical Chemistry A. 104, 41, p. 9347-9355 9 p.

研究成果: ジャーナルへの寄稿記事

formaldehyde
Formaldehyde
Methanol
Iron
methyl alcohol
13 引用 (Scopus)

Role of vibronic interactions in the electronic properties of a silicon cluster, (SiH)8

Kato, T., Yoshizawa, K. & Yamabe, T., 8 1 2000, : : Journal of Chemical Physics. 113, 6, p. 2188-2198 11 p.

研究成果: ジャーナルへの寄稿記事

Molecular orbitals
Silicon
Electronic properties
molecular orbitals
Molecular vibrations
1 引用 (Scopus)
Charge density waves
Graphite
Dimerization
Electron transitions
Fermi level
21 引用 (Scopus)

Synthesis, structure, and catalytic function of a disulfide-bridged dicopper(I) complex

Ohta, T., Tachiyama, T., Yoshizawa, K. & Yamabe, T., 4 8 2000, : : Tetrahedron Letters. 41, 15, p. 2581-2585 5 p.

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Epoxidation
Redox reactions
Sulfhydryl Compounds
Oxidants
81 引用 (Scopus)

Synthesis, structure, and H2O2-dependent catalytic functions of disulfide-bridged dicopper(I) and related thioether-copper(I) and thioether-copper(II) complexes

Ohta, T., Tachiyama, T., Yoshizawa, K., Yamabe, T., Uchida, T. & Kitagawa, T., 9 18 2000, : : Inorganic Chemistry. 39, 19, p. 4358-4369 12 p.

研究成果: ジャーナルへの寄稿記事

disulfides
Sulfides
Disulfides
Copper
copper
29 引用 (Scopus)

The electronic and vibrational structures of iron-oxo porphyrin with a methoxide or cysteinate axial ligand

Ohta, T., Matsuura, K., Yoshizawa, K. & Morishima, I., 11 30 2000, : : Journal of Inorganic Biochemistry. 82, 1-4, p. 141-152 12 p.

研究成果: ジャーナルへの寄稿記事

Porphyrins
Iron
Ligands
Chloride Peroxidase
Stretching
3 引用 (Scopus)

Theoretical study of the ground and excited states of silicon clusters: Si8Hx

Nakajima, K., Yoshizawa, K. & Yamabe, T., 10 1 2000, : : Journal of Applied Physics. 88, 7, p. 4340-4346 7 p.

研究成果: ジャーナルへの寄稿記事

ground state
silicon
oscillator strengths
excitation
forbidden transitions
32 引用 (Scopus)

The role of orbital interactions in determining the interlayer spacing in graphite slabs

Yoshizawa, K., Yumura, T., Yamabe, T. & Bandow, S., 12 6 2000, : : Journal of the American Chemical Society. 122, 48, p. 11871-11875 5 p.

研究成果: ジャーナルへの寄稿記事

Graphite
Density functional theory
54 引用 (Scopus)
methane monooxygenase
Hydroxylation
Methane
Catalytic Domain
Iron
14 引用 (Scopus)

Two-step concerted mechanism for the hydrocarbon hydroxylation by cytochrome P450

Yoshizawa, K., Ohta, T., Eda, M. & Yamabe, T., 2 1 2000, : : Bulletin of the Chemical Society of Japan. 73, 2, p. 401-407 7 p.

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Porphyrins
Hydrocarbons
Cytochrome P-450 Enzyme System
Carbon
14 引用 (Scopus)

Vibronic coupling and jahn-teller effects in negatively charged corannulene

Yamabe, T., Yahara, K., Kato, T. & Yoshizawa, K., 1 27 2000, : : Journal of Physical Chemistry A. 104, 3, p. 589-595 7 p.

研究成果: ジャーナルへの寄稿記事

Jahn-Teller effect
Anions
electronics
anions
Superconductivity
3 引用 (Scopus)

Vibronic interactions in {6} and {18}hetero(A,B)annulenes

Tachibana, M. & Yoshizawa, K., 10 15 2000, : : Chemical Physics. 260, 3, p. 303-315 13 p.

研究成果: ジャーナルへの寄稿記事

Jahn-Teller effect
Molecular orbitals
vibration mode
molecular orbitals
electronics
1999
23 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
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
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
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
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