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Research Output 1983 2019

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2009
9 Citations (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., Oct 12 2009, In : Organometallics. 28, 19, p. 5641-5646 6 p.

Research output: Contribution to journalArticle

Unsaturated compounds
carbon compounds
Silanes
Silicon
silanes
4 Citations (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., Jan 1 2009, In : Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences. 64, 11-12, p. 1580-1590 11 p.

Research output: Contribution to journalArticle

Stereochemistry
Palladium
Stereoisomerism
Styrene
Acetylene
21 Citations (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., Jul 27 2009, In : Chemistry - A European Journal. 15, 30, p. 7394-7403 10 p.

Research output: Contribution to journalArticle

haloacetate dehalogenase
Dehalogenation
Fluoroacetates
haloalkane dehalogenase
Molecules
14 Citations (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., Jun 25 2009, In : Journal of Physical Chemistry B. 113, 25, p. 8435-8438 4 p.

Research output: Contribution to journalArticle

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

Translated title of the contribution: Phosphine Sulfide As an Anchor Unit for Metal-Molecule Junction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, In : 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.

Research output: Contribution to journalArticle

phosphine
Sulfides
Anchors
Metals
Molecules
2008
19 Citations (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., Dec 18 2008, In : Journal of Physical Chemistry A. 112, 50, p. 13102-13108 7 p.

Research output: Contribution to journalArticle

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

Mechanism and kinetics of cyanide decomposition by ferrate

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

Research output: Contribution to journalArticle

Cyanides
Decomposition
Kinetics
Cyanates
Oxidants
146 Citations (Scopus)

Orbital views of the electron transport in molecular devices

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

Research output: Contribution to journalArticle

Electron Transport
Electrodes
Equipment and Supplies
Molecules
Nanowires
47 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

Monophenol Monooxygenase
Tyrosine
Protons
Proteins
Proton transfer
98 Citations (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., Jul 21 2008, In : Angewandte Chemie - International Edition. 47, 31, p. 5772-5776 5 p.

Research output: Contribution to journalArticle

Oxygenation
Ruthenium
Hydrocarbons
Oxygen
Water
13 Citations (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., Jun 23 2008, In : Organometallics. 27, 12, p. 2750-2755 6 p.

Research output: Contribution to journalArticle

Unsaturated compounds
carbon compounds
Thermolysis
Silicon
Carbon
20 Citations (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., Feb 4 2008, In : Inorganic Chemistry. 47, 3, p. 886-895 10 p.

Research output: Contribution to journalArticle

Ruthenium
Amides
linkages
amides
ruthenium
7 Citations (Scopus)

Theoretical analysis of the reaction mechanism of biotin carboxylase

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

Research output: Contribution to journalArticle

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

Theoretical study of long-range electron transport in molecular junctions

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

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

synthesis
dissociation
Oxygen
Atoms
hydrogen peroxide
2007
31 Citations (Scopus)
Propanediol Dehydratase
Coenzymes
Propylene Glycols
Catalysis
Hydrogen
3 Citations (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., Dec 1 2007, In : Bulletin of the Chemical Society of Japan. 80, 12, p. 2323-2328 6 p.

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

Intramolecular Transferases
Coenzymes
Discrete Fourier transforms
Atoms
corrin
50 Citations (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., Jun 29 2007, In : Angewandte Chemie - International Edition. 46, 13, p. 2291-2294 4 p.

Research output: Contribution to journalArticle

Oxygenation
Oxidants
Iron
Substrates
Amines
68 Citations (Scopus)

Photoswitching of conductivity through a diarylperfluorocyclopentene nanowire

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

Research output: Contribution to journalArticle

Molecular electronics
molecular electronics
Molecular orbitals
Green's function
Spatial distribution
110 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

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

Vibronic interaction in metalloporphyrin π-anion radicals

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

Research output: Contribution to journalArticle

Metalloporphyrins
Anions
anions
Jahn-Teller effect
electronics
2006
104 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

dopamine
Mixed Function Oxygenases
Dopamine
Hydroxylation
Atoms
95 Citations (Scopus)
methane monooxygenase
Methane
Discrete Fourier transforms
Methanol
Copper
4 Citations (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., Nov 7 2006, In : Bulletin of the Chemical Society of Japan. 79, 1, p. 53-58 6 p.

Research output: Contribution to journalArticle

Discrete Fourier transforms
Ground state
Chemical activation
Ligands
Molecular orbitals
33 Citations (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., Apr 1 2006, In : Journal of Inorganic Biochemistry. 100, 4, p. 751-754 4 p.

Research output: Contribution to journalArticle

Hydroxylation
Alkanes
Porphyrins
Cations
Ligands
82 Citations (Scopus)

Nonradical mechanism for methane hydroxylation by iron-oxo complexes

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

Research output: Contribution to journalArticle

Hydroxylation
Methane
Iron
Metals
methane monooxygenase
30 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

Hydroxylation
Phenol
Benzene
phenols
benzene
35 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

Porphyrins
porphyrins
switches
Switches
Deprotonation
2005
60 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

Fermi level
switches
Switches
Green's function
Gold
67 Citations (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., Jun 13 2005, In : Inorganic Chemistry. 44, 12, p. 4226-4236 11 p.

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

Electronic structure
Energy gap
electronic structure
orbitals
Electric conductance
45 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

Phenol
Benzene
phenols
benzene
Atoms
42 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

Gold
Copper
gold
copper
Molecular orbitals
11 Citations (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., Dec 1 2005, In : Bulletin of the Chemical Society of Japan. 78, 12, p. 2152-2158 7 p.

Research output: Contribution to journalArticle

Nitriles
Ruthenium
Ligands
Charge distribution
Chemical shift
44 Citations (Scopus)

Water-assisted oxo mechanism for heme metabolism

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

Research output: Contribution to journalArticle

Heme
Metabolism
Porphyrins
Heme Oxygenase (Decyclizing)
Water
2004
49 Citations (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., Mar 1 2004, In : Chemical Physics Letters. 386, 1-3, p. 38-43 6 p.

Research output: Contribution to journalArticle

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

A vibrational analysis on possible peroxo forms of soluble methane monooxygenase

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

Research output: Contribution to journalArticle

methane monooxygenase
Stretching
Discrete Fourier transforms
Isotopes
Oxygen
39 Citations (Scopus)
Propanediol Dehydratase
Coenzymes
Protonation
Histidine
Amino acids
49 Citations (Scopus)
Green's function
Green's functions
wire
Wire
formalism
173 Citations (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., Nov 3 2004, In : Journal of the American Chemical Society. 126, 43, p. 13908-13909 2 p.

Research output: Contribution to journalArticle

Living polymerization
Free radical polymerization
Polymerization
Monomers
Polydispersity
35 Citations (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., Mar 31 2004, In : Journal of the American Chemical Society. 126, 12, p. 3672-3673 2 p.

Research output: Contribution to journalArticle

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

Molecular orbital engineering of single-molecular light emission

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

Research output: Contribution to journalArticle

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

Oscillation of conductance in molecular junctions of carbon ladder compounds

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

Research output: Contribution to journalArticle

Ladders
Benzene
Carbon
Wire
Polyacetylenes
8 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

Phenylalanine Hydroxylase
phenylalanine
Iron
tyrosine
Tyrosine
20 Citations (Scopus)

Reverse exponential decay of electrical transmission in nanosized graphite sheets

Tada, T. & Yoshizawa, K., Jun 10 2004, In : Journal of Physical Chemistry B. 108, 23, p. 7565-7572 8 p.

Research output: Contribution to journalArticle

Graphite
graphite
decay
Gold
gold