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研究成果 1983 2019

フィルター
記事
2004
21 引用 (Scopus)

Silicon-carbon unsaturated compounds. 69. Reactions of silenes produced thermally from pivaloyl- and adamantoyltris (trimethylsilyl) silane with silyl-substituted butadiynes and enynes

Naka, A., Ohnishi, H., Miyahara, I., Hirotsu, K., Shiota, Y., Yoshizawa, K. & Ishikawa, M., 8 30 2004, : : Organometallics. 23, 18, p. 4277-4287 11 p.

研究成果: ジャーナルへの寄稿記事

Unsaturated compounds
carbon compounds
Silanes
Silicon
silanes
13 引用 (Scopus)

Theoretical study of thermal isomerization of silacyclobutene to cyclopropene

Shiota, Y., Yasunaga, M., Naka, A., Ishikawa, M. & Yoshizawa, K., 9 27 2004, : : Organometallics. 23, 20, p. 4744-4749 6 p.

研究成果: ジャーナルへの寄稿記事

Isomerization
isomerization
shift
tert-Butyl Alcohol
cyclopropane
39 引用 (Scopus)

The role of fullerene hemispheres in determining structural features of finite-length carbon nanotubes

Yumura, T., Bandow, S., Yoshizawa, K. & Iijima, S., 8 5 2004, : : Journal of Physical Chemistry B. 108, 31, p. 11426-11434 9 p.

研究成果: ジャーナルへの寄稿記事

Fullerenes
Nanotubes
Carbon Nanotubes
hemispheres
fullerenes
65 引用 (Scopus)

Wire-length dependence of the conductance of oligo(p-phenylene) dithiolate wires: A consideration from molecular orbitals

Kondo, M., Tada, T. & Yoshizawa, K., 10 21 2004, : : Journal of Physical Chemistry A. 108, 42, p. 9143-9149 7 p.

研究成果: ジャーナルへの寄稿記事

Molecular orbitals
molecular orbitals
wire
Wire
Peptide Elongation Factor G
2003
62 引用 (Scopus)

Alkane oxidation by VO2+ in the gas phase: A unique dependence of reactivity on the chain length

Engeser, M., Schlangen, M., Schröder, D., Schwarz, H., Yumura, T. & Yoshizawa, K., 9 15 2003, : : Organometallics. 22, 19, p. 3933-3943 11 p.

研究成果: ジャーナルへの寄稿記事

Propane
Alkanes
butanes
Chain length
propane
28 引用 (Scopus)

A non-radical mechanism for methane hydroxylation at the diiron active site of soluble methane monooxygenase

Yoshizawa, K. & Yumura, T., 5 23 2003, : : Chemistry - A European Journal. 9, 10, p. 2347-2358 12 p.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Hydroxylation
Methane
Methanol
Ligands
87 引用 (Scopus)
Methane
Methanol
Orbits
methane
methyl alcohol
25 引用 (Scopus)

A theoretical study of reactivity and regioselectivity in the hydroxylation of adamantane by ferrate(VI)

Shiota, Y., Kihara, N., Kamachi, T. & Yoshizawa, K., 5 16 2003, : : Journal of Organic Chemistry. 68, 10, p. 3958-3965 8 p.

研究成果: ジャーナルへの寄稿記事

Adamantane
Regioselectivity
Hydroxylation
Atoms
Hydrogen
17 引用 (Scopus)

A theoretical study of spin-orbit coupling in an Fe(II) spin-crossover complex. Mechanism of the LIESST effect

Kondo, M. & Yoshizawa, K., 4 29 2003, : : Chemical Physics Letters. 372, 3-4, p. 519-523 5 p.

研究成果: ジャーナルへの寄稿記事

crossovers
Orbits
trapping
orbits
182 引用 (Scopus)

A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome p450

Kamachi, T. & Yoshizawa, K., 4 16 2003, : : Journal of the American Chemical Society. 125, 15, p. 4652-4661 10 p.

研究成果: ジャーナルへの寄稿記事

Camphor
Hydroxylation
Cytochrome P-450 Enzyme System
Theoretical Models
Reaction intermediates
62 引用 (Scopus)
Epoxidation
Alkenes
Oxidants
Cytochrome P-450 Enzyme System
Density functional theory
34 引用 (Scopus)

Mechanistic proposals for direct benzene hydroxylation over Fe-ZSM-5 zeolite

Yoshizawa, K., Shiota, Y. & Kamachi, T., 10 16 2003, : : Journal of Physical Chemistry B. 107, 41, p. 11404-11410 7 p.

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Benzene
proposals
benzene
Catalytic Domain
25 引用 (Scopus)

Molecular Orbital Interactions in the Nanostar Dendrimer

Tada, T., Nozaki, D., Kondo, M. & Yoshizawa, K., 12 25 2003, : : Journal of Physical Chemistry B. 107, 51, p. 14204-14210 7 p.

研究成果: ジャーナルへの寄稿記事

Dendrimers
dendrimers
Molecular orbitals
molecular orbitals
Perylene
9 引用 (Scopus)

Orbital Interactions between a C 60 Molecule and Cu(111) Surface

Ogawa, A., Tachibana, M., Kondo, M., Yoshizawa, K., Fujimoto, H. & Hoffmann, R., 11 20 2003, : : Journal of Physical Chemistry B. 107, 46, p. 12672-12679 8 p.

研究成果: ジャーナルへの寄稿記事

Adsorption
orbitals
Molecules
Monolayers
rings
30 引用 (Scopus)

Quantum transport effects in nanosized graphite sheets. II. Enhanced transport effects by heteroatoms

Tada, T. & Yoshizawa, K., 8 28 2003, : : Journal of Physical Chemistry B. 107, 34, p. 8789-8793 5 p.

研究成果: ジャーナルへの寄稿記事

Graphite
Molecular orbitals
molecular orbitals
graphite
Atoms
27 引用 (Scopus)

Theoretical Measurements of Conductance in an (AT)12 DNA Molecule

Tada, T., Kondo, M. & Yoshizawa, K., 11 14 2003, : : ChemPhysChem. 4, 11, p. 1256-1260 5 p.

研究成果: ジャーナルへの寄稿記事

deoxyribonucleic acid
Molecules
DNA
molecules
nucleic acids
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
111 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
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
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
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
116 引用 (Scopus)
Methane
Phenol
Benzene
phenols
Phenols