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研究成果 1983 2019

2000
30 引用 (Scopus)

Cavity ring-down spectroscopy and relative rate study of reactions of HCO radicals with O2, NO, NO2, and Cl2 at 295 K

Ninomiya, Y., Goto, M., Hashimoto, S., Kagawa, Y., Yoshizawa, K., Kawasaki, M., Wallington, T. J. & Hurley, M. D., 8 1 2000, : : Journal of Physical Chemistry A. 104, 32, p. 7556-7564 9 p.

研究成果: ジャーナルへの寄稿記事

Carbon Monoxide
diluents
Spectroscopy
cavities
rings
47 引用 (Scopus)
methane monooxygenase
Methane
Methanol
Enzymes
Atoms
8 引用 (Scopus)

Crystal orbital overlap population analysis of the capacity fading of metal-substituted spinel lithium manganate LiMn2O4

Hasegawa, A., Yoshizawa, K. & Yamabe, T., 11 1 2000, : : Journal of the Electrochemical Society. 147, 11, p. 4052-4057 6 p.

研究成果: ジャーナルへの寄稿記事

Lithium
Metals
Crystals
Manganese
Atoms
115 引用 (Scopus)
Methane
Phenol
Benzene
phenols
Phenols
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
197 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
2001

A cluster model study of the electron-phonon interaction magnesium diborate

Yoshizawa, K. & Kondo, M., 10 22 2001, : : Journal of Chemical Physics. 115, 16, p. 7344-7347 4 p.

研究成果: ジャーナルへの寄稿記事

Electron-phonon interactions
electron phonon interactions
Magnesium
magnesium
Molecular vibrations
50 引用 (Scopus)

A theoretical study of alcohol oxidation by ferrate

Ohta, T., Kamachi, T., Shiota, Y. & Yoshizawa, K., 6 15 2001, : : Journal of Organic Chemistry. 66, 12, p. 4122-4131 10 p.

研究成果: ジャーナルへの寄稿記事

Methanol
Alcohols
Oxidation
Formaldehyde
Organometallics
80 引用 (Scopus)

A theoretical study of the dynamic behavior of alkane hydroxylation by a compound I model of cytochrome P450

Yoshizawa, K., Kamachi, T. & Shiota, Y., 10 10 2001, : : Journal of the American Chemical Society. 123, 40, p. 9806-9816 11 p.

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Alkanes
Kinetic energy
Paraffins
Cytochrome P-450 Enzyme System
7 引用 (Scopus)

Configurational inversion of the tetrahedral molecules CH4, SiH4, and GeH4

Yoshizawa, K. & Suzuki, A., 9 1 2001, : : Chemical Physics. 271, 1-2, p. 41-54 14 p.

研究成果: ジャーナルへの寄稿記事

Silanes
Methane
inversions
Molecules
Electrons
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
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
4 引用 (Scopus)

First observation of clusters for solvated tropylium ions

Kinoshita, T., Wakisaka, A., Yasumoto, C., Takeuchi, K., Yoshizawa, K., Suzuki, A. & Yamabe, T., 9 21 2001, : : Chemical Communications. 18, p. 1768-1769 2 p.

研究成果: ジャーナルへの寄稿記事

Solvation
Mass spectrometers
Ions
tropylium
9 引用 (Scopus)

Inverse isotope effects in the superconductivity of acenes: A theoretical study

Kato, T., Yoshizawa, K. & Yamabe, T., 9 7 2001, : : Chemical Physics Letters. 345, 1-2, p. 125-131 7 p.

研究成果: ジャーナルへの寄稿記事

Superconductivity
Isotopes
isotope effect
superconductivity
Deuterium
31 引用 (Scopus)
Hydroxylation
Alkanes
Methane
Paraffins
alkanes
18 引用 (Scopus)

Regioselectivity in 2-methylbutane hydroxylation mediated by FeO+ and FeO2+

Yumura, T. & Yoshizawa, K., 4 2 2001, : : Organometallics. 20, 7, p. 1397-1407 11 p.

研究成果: ジャーナルへの寄稿記事

Regioselectivity
Hydroxylation
Atoms
Carbon
Discrete Fourier transforms
21 引用 (Scopus)
atomic energy levels
Anions
Cations
Orbits
anions
19 引用 (Scopus)

Synthesis and stereochemistry of cis- and trans-3,4-benzo-1,2-di(tert- butyl)-1,2-dimethyl-1,2-disilacyclobutene

Ishikawa, M., Ikadai, J., Naka, A., Ohshita, J., Kunai, A., Yoshizawa, K., Kang, S. Y. & Yamabe, T., 3 19 2001, : : Organometallics. 20, 6, p. 1059-1061 3 p.

研究成果: ジャーナルへの寄稿記事

Siloxanes
Stereochemistry
stereochemistry
Palladium
Oxygen
2 引用 (Scopus)

Theoretical study on the structure and stability of the clusters of tropylium ion solvated by methanol molecules

Suzuki, A., Kinoshita, T., Takeuchi, K., Wakisaka, A. & Yoshizawa, K., 11 16 2001, : : Journal of Molecular Structure: THEOCHEM. 574, 1-3, p. 117-125 9 p.

研究成果: ジャーナルへの寄稿記事

Methanol
Hydrogen
Hydrogen bonds
Theoretical Models
methyl alcohol
6 引用 (Scopus)
Lithium
Metals
Electrodes
Manganese
Atoms
2 引用 (Scopus)

Vibronic interaction in a copper oxide cluster

Kato, T., Kondo, M., Tachibana, M., Yamabe, T. & Yoshizawa, K., 9 1 2001, : : Chemical Physics. 271, 1-2, p. 31-39 9 p.

研究成果: ジャーナルへの寄稿記事

Copper oxides
copper oxides
Diamond
Superconducting materials
Copper
4 引用 (Scopus)

Vibronic interactions and Jahn-Teller effects in π-conjugated systems

Kato, T., Yoshizawa, K. & Yamabe, T., 3 15 2001, : : Synthetic Metals. 119, 1-3, p. 217-218 2 p.

研究成果: ジャーナルへの寄稿記事

Jahn-Teller effect
Benzene
benzene
interactions
Electronic properties
2002

Density functional theory study on the C–H bond activation of alkane by cytochrome P450

Yoshizawa, K., 11 1 2002, : : International Congress Series. 1233, C, p. 191-195 5 p.

研究成果: ジャーナルへの寄稿記事

Alkanes
Isotopes
Cytochrome P-450 Enzyme System
Hydroxylation
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
22 引用 (Scopus)

Mechanism for the formaldehyde to formic acid and the formic acid to carbon dioxide conversions mediated by an iron-oxo species

Yumura, T., Amenomori, T., Kagawa, Y. & Yoshizawa, K., 1 31 2002, : : Journal of Physical Chemistry A. 106, 4, p. 621-630 10 p.

研究成果: ジャーナルへの寄稿記事

formic acid
formaldehyde
Carbon Dioxide
Formaldehyde
carbon dioxide
3 引用 (Scopus)

Possible photoinduced spin transitions in bis(phenylmethylenyl)[2.2]paracyclophanes. A spin-orbit coupling study

Kondo, M., Shiota, Y. & Yoshizawa, K., 8 29 2002, : : Journal of Physical Chemistry A. 106, 34, p. 7915-7920 6 p.

研究成果: ジャーナルへの寄稿記事

Excited states
Orbits
orbits
atomic energy levels
Hamiltonians
76 引用 (Scopus)

Quantum transport effects in nanosized graphite sheets

Tada, T. & Yoshizawa, K., 12 16 2002, : : ChemPhysChem. 3, 12, p. 1035-1037 3 p.

研究成果: ジャーナルへの寄稿記事

Graphite
switches
graphite
Switches
Molecular orbitals
28 引用 (Scopus)

Role of diagonal silicon-carbon interaction in the [2 + 2] cycloaddition of silene and acetylene

Yoshizawa, K., Kondo, Y., Kang, S. Y., Naka, A. & Isnikawa, M., 7 22 2002, : : Organometallics. 21, 15, p. 3271-3277 7 p.

研究成果: ジャーナルへの寄稿記事

Acetylene
Cycloaddition
cycloaddition
Silicon
acetylene
15 引用 (Scopus)

Second-order perturbational analysis of the interaction between graphite sheets

Yumura, T. & Yoshizawa, K., 6 1 2002, : : Chemical Physics. 279, 2-3, p. 111-131 21 p.

研究成果: ジャーナルへの寄稿記事

Graphite
graphite
slabs
interlayers
orbitals
29 引用 (Scopus)

Silicon-carbon unsaturated compounds. 65. Thermal and photochemical isomerization of trimethylsiloxy-and bis(trimethylsilyl)-substituted silacyclobut-3-enes

Naka, A., Ikadai, J., Motoike, S., Yoshizawa, K., Kondo, Y., Kang, S. Y. & Ishikawa, M., 5 13 2002, : : Organometallics. 21, 10, p. 2033-2035 3 p.

研究成果: ジャーナルへの寄稿記事

Unsaturated compounds
carbon compounds
Photolysis
Silicon
Isomerization
45 引用 (Scopus)

Small band-gap polymers involving tricyclic nonclassical thiophene as a building block

Tachibana, M., Tanaka, S., Yamashita, Y. & Yoshizawa, K., 4 11 2002, : : Journal of Physical Chemistry B. 106, 14, p. 3549-3556 8 p.

研究成果: ジャーナルへの寄稿記事

Thiophenes
Thiophene
thiophenes
Pyrazines
pyrazines
110 引用 (Scopus)

Sulfur-gold orbital interactions which determine the structure of alkanethiolate/Au(111) self-assembled monolayer systems

Tachibana, M., Yoshizawa, K., Ogawa, A., Fujimoto, H. & Hoffmann, R., 12 12 2002, : : Journal of Physical Chemistry B. 106, 49, p. 12727-12736 10 p.

研究成果: ジャーナルへの寄稿記事

Self assembled monolayers
Sulfur
Gold
Adsorption
sulfur
12 引用 (Scopus)

Superconductivity in acenes

Kato, T., Kondo, M., Yoshizawa, K. & Yamabe, T., 1 28 2002, : : Synthetic Metals. 126, 1, p. 75-80 6 p.

研究成果: ジャーナルへの寄稿記事

Molecular orbitals
Superconductivity
Stretching
superconductivity
Molecular vibrations
74 引用 (Scopus)
Alkanes
Isotopes
isotope effect
Paraffins
alkanes
33 引用 (Scopus)

Theoretical study on the mechanism of catalysis of coenzyme B 12-dependent diol dehydratase

Eda, M., Kamachi, T., Yoshizawa, K. & Toraya, T., 7 1 2002, : : Bulletin of the Chemical Society of Japan. 75, 7, p. 1469-1481 13 p.

研究成果: ジャーナルへの寄稿記事

Propanediol Dehydratase
Catalysis
Ions
Substrates
Hydrogen