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研究成果 1983 2019

フィルター
記事
2009
44 引用 (Scopus)
Cyclization
closing
Gold
gold
Photoisomerization
9 引用 (Scopus)

Silicon-carbon unsaturated compounds. 76. Photochemical and thermal behavior of 1-silacyclobut-3-enes generated from the reaction of pivaloyltris(trimethylsilyl)silane with tert-butylacetylene

Naka, A., Senba, N., Motoike, S., Fujimoto, H., Miura, T., Kobayashi, H., Yoshizawa, K. & Ishikawa, M., 10 12 2009, : : Organometallics. 28, 19, p. 5641-5646 6 p.

研究成果: ジャーナルへの寄稿記事

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

Stereochemistry of Disilanylene-containing Cyclic Compounds - Synthesis and Palladium-catalyzed Reactions of cis- and trans-3,4- Benzo-1,2-diisopropyl-1,2-dimethyl-1,2-disilacyclobut-3-ene

Naka, A., Sakata, J., Ikadai, J., Kawasaki, H., Ohshita, J., Miyazaki, E., Kunai, A., Ishikawa, M. & Yoshizawa, K., 1 1 2009, : : Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences. 64, 11-12, p. 1580-1590 11 p.

研究成果: ジャーナルへの寄稿記事

Stereochemistry
Palladium
Stereoisomerism
Styrene
Acetylene
22 引用 (Scopus)

The catalytic mechanism of fluoroacetate dehalogenase: a computational exploration of biological dehalogenation

Kamachi, T., Nakayama, T., Shitamichi, O., Jitsumori, K., Kurihara, T., Esaki, N. & Yoshizawa, K., 7 27 2009, : : Chemistry - A European Journal. 15, 30, p. 7394-7403 10 p.

研究成果: ジャーナルへの寄稿記事

haloacetate dehalogenase
Dehalogenation
Fluoroacetates
haloalkane dehalogenase
Molecules
14 引用 (Scopus)

What is the identity of the metal ions in the active sites of coenzyme b12-dependent diol dehydratase? a computational mutation analysis

Kamachi, T., Takahata, M., Toraya, T. & Yoshizawa, K., 6 25 2009, : : Journal of Physical Chemistry B. 113, 25, p. 8435-8438 4 p.

研究成果: ジャーナルへの寄稿記事

Propanediol Dehydratase
coenzymes
Coenzymes
mutations
Metal ions

ホスフィンスルフィドをアンカーとする単一分子接合の形成と電気伝導特性

深澤愛子, Staykov, A., 吉澤一成, 山口茂弘, 木口学, 丹下聡, 市橋泰宜, 趙強, 高橋拓也, 小西達也, 村越敬 & 辻雄太, 2009, : : 基礎有機化学討論会要旨集(基礎有機化学連合討論会予稿集). 2009, 0, p. 221-221 1 p.

研究成果: ジャーナルへの寄稿記事

phosphine
Sulfides
Anchors
Metals
Molecules
2008
19 引用 (Scopus)

Combined experimental and theoretical approach to understand the reactivity of a mononuclear Cu(II)-hydroperoxo complex in oxygenation reactions

Kamachi, T., Lee, Y. M., Nishimi, T., Cho, J., Yoshizawa, K. & Nam, W., 12 18 2008, : : Journal of Physical Chemistry A. 112, 50, p. 13102-13108 7 p.

研究成果: ジャーナルへの寄稿記事

epoxidation
Oxygenation
Epoxidation
oxygenation
Bearings (structural)
32 引用 (Scopus)
Nitrogen Fixation
Ammonia
Discrete Fourier transforms
Ligands
Chemical activation
23 引用 (Scopus)

Mechanism and kinetics of cyanide decomposition by ferrate

Kamachi, T., Nakayama, T. & Yoshizawa, K., 10 15 2008, : : Bulletin of the Chemical Society of Japan. 81, 10, p. 1212-1218 7 p.

研究成果: ジャーナルへの寄稿記事

Cyanides
Decomposition
Kinetics
Cyanates
Oxidants
148 引用 (Scopus)

Orbital views of the electron transport in molecular devices

Yoshizawa, K., Tada, T. & Staykov, A. T., 7 23 2008, : : Journal of the American Chemical Society. 130, 29, p. 9406-9413 8 p.

研究成果: ジャーナルへの寄稿記事

Electron Transport
Electrodes
Equipment and Supplies
Molecules
Nanowires
48 引用 (Scopus)

Quantum chemical approach to the mechanism for the biological conversion of tyrosine to dopaquinone

Inoue, T., Shiota, Y. & Yoshizawa, K., 12 17 2008, : : Journal of the American Chemical Society. 130, 50, p. 16890-16897 8 p.

研究成果: ジャーナルへの寄稿記事

Monophenol Monooxygenase
Tyrosine
Protons
Proteins
Proton transfer
102 引用 (Scopus)

Ruthenium-catalyzed selective and efficient oxygenation of hydrocarbons with water as an oxygen source

Hirai, Y., Kojima, T., Mizutani, Y., Shiota, Y., Yoshizawa, K. & Fukuzumi, S., 7 21 2008, : : Angewandte Chemie - International Edition. 47, 31, p. 5772-5776 5 p.

研究成果: ジャーナルへの寄稿記事

Oxygenation
Ruthenium
Hydrocarbons
Oxygen
Water
13 引用 (Scopus)

Silicon - Carbon unsaturated compounds. 74. Thermal behavior of 1-silacyclobut-3-enes generated from the reaction of acylpolysilanes with tert-butylacetylene

Naka, A., Motoike, S., Senba, N., Ohshita, J., Kunai, A., Yoshizawa, K. & Ishikawa, M., 6 23 2008, : : Organometallics. 27, 12, p. 2750-2755 6 p.

研究成果: ジャーナルへの寄稿記事

Unsaturated compounds
carbon compounds
Thermolysis
Silicon
Carbon
20 引用 (Scopus)

Synthesis and characterization of novel ferrocene-containing pyridylamine ligands and their ruthenium(II) complexes: Electronic communication through hydrogen-bonded amide linkage

Kojima, T., Noguchi, D., Nakayama, T., Inagaki, Y., Shiota, Y., Yoshizawa, K., Ohkubo, K. & Fukuzumi, S., 2 4 2008, : : Inorganic chemistry. 47, 3, p. 886-895 10 p.

研究成果: ジャーナルへの寄稿記事

Ruthenium
Amides
linkages
amides
ruthenium
7 引用 (Scopus)

Theoretical analysis of the reaction mechanism of biotin carboxylase

Ito, Y., Kondo, H., Shiota, Y. & Yoshizawa, K., 2 1 2008, : : Journal of Chemical Theory and Computation. 4, 2, p. 366-374 9 p.

研究成果: ジャーナルへの寄稿記事

biotin carboxylase
biotin
Biotin
Carbon Monoxide
Bicarbonates
43 引用 (Scopus)

Theoretical study of long-range electron transport in molecular junctions

Nozaki, D., Girard, Y. & Yoshizawa, K., 11 6 2008, : : Journal of Physical Chemistry C. 112, 44, p. 17408-17415 8 p.

研究成果: ジャーナルへの寄稿記事

Incoherent scattering
Quantum chemistry
Electron transitions
Green's function
electrons
82 引用 (Scopus)

Theoretical study of the direct synthesis of H2O2 on Pd and Pd/Au surfaces

Staykov, A. T., Kamachi, T., Ishihara, T. & Yoshizawa, K., 12 11 2008, : : Journal of Physical Chemistry C. 112, 49, p. 19501-19505 5 p.

研究成果: ジャーナルへの寄稿記事

synthesis
dissociation
Oxygen
Atoms
hydrogen peroxide
2007
31 引用 (Scopus)
Propanediol Dehydratase
Coenzymes
Propylene Glycols
Catalysis
Hydrogen
3 引用 (Scopus)

DFT analysis of cubane-type feir3s4 clusters. Dinitrogen binding and activation at the tetrahedral Fe site

Kozlowski, P. M., Shiota, Y., Gomita, S., Seino, H., Mizobe, Y. & Yoshizawa, K., 12 1 2007, : : Bulletin of the Chemical Society of Japan. 80, 12, p. 2323-2328 6 p.

研究成果: ジャーナルへの寄稿記事

Density functional theory
Chemical activation
Bond length
Electronic properties
Structural properties
52 引用 (Scopus)

Does Cob(II)alamin act as a conductor in coenzyme B12 dependent mutases?

Kozlowski, P. M., Kamachi, T., Toraya, T. & Yoshizawa, K., 2 7 2007, : : Angewandte Chemie - International Edition. 46, 6, p. 980-983 4 p.

研究成果: ジャーナルへの寄稿記事

Intramolecular Transferases
Coenzymes
Discrete Fourier transforms
Atoms
corrin
50 引用 (Scopus)

Experimental and theoretical evidence for nonheme iron(III) alkylperoxo species as sluggish oxidants in oxygenation reactions

Seo, M. S., Kamachi, T., Kouno, T., Murata, K., Park, M. J., Yoshizawa, K. & Nam, W., 6 29 2007, : : Angewandte Chemie - International Edition. 46, 13, p. 2291-2294 4 p.

研究成果: ジャーナルへの寄稿記事

Oxygenation
Oxidants
Iron
Substrates
Amines
69 引用 (Scopus)

Photoswitching of conductivity through a diarylperfluorocyclopentene nanowire

Staykov, A. T., Nozaki, D. & Yoshizawa, K., 3 1 2007, : : Journal of Physical Chemistry C. 111, 8, p. 3517-3521 5 p.

研究成果: ジャーナルへの寄稿記事

Molecular electronics
molecular electronics
Molecular orbitals
Green's function
Spatial distribution
111 引用 (Scopus)

Theoretical study of donor-π-bridge-acceptor unimolecular electric rectifier

Staykov, A. T., Nozaki, D. & Yoshizawa, K., 8 9 2007, : : Journal of Physical Chemistry C. 111, 31, p. 11698-11705 8 p.

研究成果: ジャーナルへの寄稿記事

Electric rectifiers
rectifiers
Nanowires
nanowires
Molecular orbitals
10 引用 (Scopus)

Vibronic interaction in metalloporphyrin π-anion radicals

Yoshizawa, K., Nakayama, T., Kamachi, T. & Kozlowski, P. M., 2 8 2007, : : Journal of Physical Chemistry A. 111, 5, p. 852-857 6 p.

研究成果: ジャーナルへの寄稿記事

Metalloporphyrins
Anions
anions
Jahn-Teller effect
electronics
2006
105 引用 (Scopus)

Catalytic mechanism of dopamine β-monooxygenase mediated by Cu(III)-oxo

Yoshizawa, K., Kihara, N., Kamachi, T. & Shiota, Y., 4 3 2006, : : Inorganic Chemistry. 45, 7, p. 3034-3041 8 p.

研究成果: ジャーナルへの寄稿記事

dopamine
Mixed Function Oxygenases
Dopamine
Hydroxylation
Atoms
96 引用 (Scopus)
methane monooxygenase
Methane
Discrete Fourier transforms
Methanol
Copper
4 引用 (Scopus)

DFT calculations of cubane-type Mo2Ru2S4 clusters. Stability of a possible dinitrogen cluster and an isolable acetonitrile cluster

Yoshizawa, K., Kihara, N., Shiota, Y., Seino, H. & Mizobe, Y., 11 7 2006, : : Bulletin of the Chemical Society of Japan. 79, 1, p. 53-58 6 p.

研究成果: ジャーナルへの寄稿記事

Discrete Fourier transforms
Ground state
Chemical activation
Ligands
Molecular orbitals
33 引用 (Scopus)

How axial ligands control the reactivity of high-valent iron(IV)-oxo porphyrin π-cation radicals in alkane hydroxylation: A computational study

Kamachi, T., Kouno, T., Nam, W. & Yoshizawa, K., 4 1 2006, : : Journal of Inorganic Biochemistry. 100, 4, p. 751-754 4 p.

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Alkanes
Porphyrins
Cations
Ligands
85 引用 (Scopus)

Nonradical mechanism for methane hydroxylation by iron-oxo complexes

Yoshizawa, K., 6 1 2006, : : Accounts of Chemical Research. 39, 6, p. 375-382 8 p.

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Methane
Iron
Metals
methane monooxygenase
30 引用 (Scopus)

QM/MM study on the catalytic mechanism of benzene hydroxylation over Fe-ZSM-5

Shiota, Y., Suzuki, K. & Yoshizawa, K., 6 19 2006, : : Organometallics. 25, 13, p. 3118-3123 6 p.

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Phenol
Benzene
phenols
benzene
35 引用 (Scopus)

Theoretical study of a neutral, doubly protonated, and doubly deprotonated porphyrin dithiolate used as a molecular switch

Girard, Y., Kondo, M. & Yoshizawa, K., 8 21 2006, : : Chemical Physics. 327, 1, p. 77-84 8 p.

研究成果: ジャーナルへの寄稿記事

Porphyrins
porphyrins
switches
Switches
Deprotonation
2005
61 引用 (Scopus)

A theoretical measurement of the quantum transport through an optical molecular switch

Kondo, M., Tada, T. & Yoshizawa, K., 8 25 2005, : : Chemical Physics Letters. 412, 1-3, p. 55-59 5 p.

研究成果: ジャーナルへの寄稿記事

Fermi level
switches
Switches
Green's function
Gold
67 引用 (Scopus)

Computational exploration of the catalytic mechanism of dopamine β-monooxygenase: Modeling of its mononuclear copper active sites

Kamachi, T., Kihara, N., Shiota, Y. & Yoshizawa, K., 6 13 2005, : : Inorganic Chemistry. 44, 12, p. 4226-4236 11 p.

研究成果: ジャーナルへの寄稿記事

dopamine
Mixed Function Oxygenases
Copper
Dopamine
copper
9 引用 (Scopus)
energy of formation
Benzene
benzene
Electrodes
electrodes
32 引用 (Scopus)

Electronic structures and band gaps of chains and sheets based on phenylacetylene units

Kondo, M., Nozaki, D., Tachibana, M., Yumura, T. & Yoshizawa, K., 6 6 2005, : : Chemical Physics. 312, 1-3, p. 289-297 9 p.

研究成果: ジャーナルへの寄稿記事

Electronic structure
Energy gap
electronic structure
orbitals
Electric conductance
46 引用 (Scopus)

End-cap effects on vibrational structures of finite-length carbon nanotubes

Yumura, T., Nozaki, D., Bandow, S., Yoshizawa, K. & Iijima, S., 8 24 2005, : : Journal of the American Chemical Society. 127, 33, p. 11769-11776 8 p.

研究成果: ジャーナルへの寄稿記事

Nanotubes
Carbon Nanotubes
Vibrational spectra
Polyenes
Carbon nanotubes
31 引用 (Scopus)

Mechanism for the direct oxidation of benzene to phenol by FeO+

Shiota, Y., Suzuki, K. & Yoshizawa, K., 7 4 2005, : : Organometallics. 24, 14, p. 3532-3538 7 p.

研究成果: ジャーナルへの寄稿記事

Phenol
Benzene
phenols
benzene
Atoms
42 引用 (Scopus)

Participation of multioxidants in the pH dependence of the reactivity of ferrate(VI)

Kamachi, T., Kouno, T. & Yoshizawa, K., 5 27 2005, : : Journal of Organic Chemistry. 70, 11, p. 4380-4388 9 p.

研究成果: ジャーナルへの寄稿記事

Water
Organometallics
Oxidants
Electron energy levels
Density functional theory
26 引用 (Scopus)

Quantum transport effects in copper(II) phthalocyanine sandwiched between gold nanoelectrodes

Tada, T., Hamayama, S., Kondo, M. & Yoshizawa, K., 6 30 2005, : : Journal of Physical Chemistry B. 109, 25, p. 12443-12448 6 p.

研究成果: ジャーナルへの寄稿記事

Gold
Copper
gold
copper
Molecular orbitals
11 引用 (Scopus)

Synthesis and characterization of ruthenium(II)-nitrile complexes with bisamide-tpa ligands (tpa = tris(2-pyridylmethyl)amine)

Kojima, T., Hayashi, K. I., Shiota, Y., Tachi, Y., Naruta, Y., Suzuki, T., Uezu, K. & Yoshizawa, K., 12 1 2005, : : Bulletin of the Chemical Society of Japan. 78, 12, p. 2152-2158 7 p.

研究成果: ジャーナルへの寄稿記事

Nitriles
Ruthenium
Ligands
Charge distribution
Chemical shift
46 引用 (Scopus)

Water-assisted oxo mechanism for heme metabolism

Kamachi, T. & Yoshizawa, K., 8 3 2005, : : Journal of the American Chemical Society. 127, 30, p. 10686-10692 7 p.

研究成果: ジャーナルへの寄稿記事

Heme
Metabolism
Porphyrins
Heme Oxygenase (Decyclizing)
Water
2004
50 引用 (Scopus)

A theoretical study on the geometrical features of finite-length carbon nanotubes capped with fullerene hemisphere

Yumura, T., Hirahara, K., Bandow, S., Yoshizawa, K. & Iijima, S., 3 1 2004, : : Chemical Physics Letters. 386, 1-3, p. 38-43 6 p.

研究成果: ジャーナルへの寄稿記事

Fullerenes
Polyenes
Carbon Nanotubes
hemispheres
Discrete Fourier transforms
11 引用 (Scopus)

A vibrational analysis on possible peroxo forms of soluble methane monooxygenase

Yumura, T. & Yoshizawa, K., 7 1 2004, : : Bulletin of the Chemical Society of Japan. 77, 7, p. 1305-1311 7 p.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Stretching
Discrete Fourier transforms
Isotopes
Oxygen
39 引用 (Scopus)
Propanediol Dehydratase
Coenzymes
Protonation
Histidine
Amino acids
49 引用 (Scopus)
Green's function
Green's functions
wire
Wire
formalism
174 引用 (Scopus)

Highly versatile organostibine mediators for living radical polymerization

Yamago, S., Ray, B., Iida, K., Yoshida, J. I., Tada, T., Yoshizawa, K., Kwak, Y., Goto, A. & Fukuda, T., 11 3 2004, : : Journal of the American Chemical Society. 126, 43, p. 13908-13909 2 p.

研究成果: ジャーナルへの寄稿記事

Living polymerization
Free radical polymerization
Polymerization
Monomers
Polydispersity
36 引用 (Scopus)

How Heme Metabolism Occurs in Heme Oxygenase: Computational Study of Oxygen-Donation Ability of the Oxo and Hydroperoxo Species

Kamachi, T., Shestakov, A. F. & Yoshizawa, K., 3 31 2004, : : Journal of the American Chemical Society. 126, 12, p. 3672-3673 2 p.

研究成果: ジャーナルへの寄稿記事

Heme Oxygenase (Decyclizing)
Heme
Metabolism
Iron
Oxygen
7 引用 (Scopus)

Molecular orbital engineering of single-molecular light emission

Nozaki, D. & Yoshizawa, K., 8 11 2004, : : Chemical Physics Letters. 394, 1-3, p. 194-197 4 p.

研究成果: ジャーナルへの寄稿記事

Light emission
Molecular orbitals
light emission
molecular orbitals
Perylene
49 引用 (Scopus)

Oscillation of conductance in molecular junctions of carbon ladder compounds

Tada, T., Nozaki, D., Kondo, M., Hamayama, S. & Yoshizawa, K., 11 3 2004, : : Journal of the American Chemical Society. 126, 43, p. 14182-14189 8 p.

研究成果: ジャーナルへの寄稿記事

Ladders
Benzene
Carbon
Wire
Polyacetylenes
8 引用 (Scopus)

QM/MM study of the mononuclear non-heme iron active site of phenylalanine hydroxylase

Shiota, Y. & Yoshizawa, K., 11 4 2004, : : Journal of Physical Chemistry B. 108, 44, p. 17226-17237 12 p.

研究成果: ジャーナルへの寄稿記事

Phenylalanine Hydroxylase
phenylalanine
Iron
tyrosine
Tyrosine