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研究成果 1983 2019

フィルター
記事
2012
13 引用 (Scopus)
Epoxy Resins
Surface waters
Oxides
Adhesives
Adhesion
17 引用 (Scopus)

Naphthalene and anthracene complexes sandwiched by two {(Cp*)Fe I} fragments: Strong electronic coupling between the Fe I centers

Hatanaka, T., Ohki, Y., Kamachi, T., Nakayama, T., Yoshizawa, K., Katada, M. & Tatsumi, K., 6 1 2012, : : Chemistry - An Asian Journal. 7, 6, p. 1231-1242 12 p.

研究成果: ジャーナルへの寄稿記事

Oxidation-Reduction
Absorption spectra
Potassium
Iron
Diamagnetism
16 引用 (Scopus)

Orbital control of single-molecule conductance perturbed by π-accepting anchor groups: Cyanide and isocyanide

Koga, J., Tsuji, Y. & Yoshizawa, K., 9 27 2012, : : Journal of Physical Chemistry C. 116, 38, p. 20607-20616 10 p.

研究成果: ジャーナルへの寄稿記事

Cyanides
cyanides
Anchors
Molecular orbitals
orbitals
8 引用 (Scopus)

Orbital determining spintronic properties of a π-conjugated system

Tsuji, Y., Staykov, A. T. & Yoshizawa, K., 8 2 2012, : : Journal of Physical Chemistry C. 116, 30, p. 16325-16332 8 p.

研究成果: ジャーナルへの寄稿記事

Magnetoelectronics
Jahn-Teller effect
orbitals
atomic energy levels
Magnetism
14 引用 (Scopus)
Electron transport properties
Molecular crystals
Aromatic Hydrocarbons
Molecules
Molecular orbitals
26 引用 (Scopus)

Oxygen activation on nanometer-size gold nanoparticles

Staykov, A. T., Nishimi, T., Yoshizawa, K. & Ishihara, T., 8 2 2012, : : Journal of Physical Chemistry C. 116, 30, p. 15992-16000 9 p.

研究成果: ジャーナルへの寄稿記事

Gold
Chemical activation
activation
gold
Oxygen
4 引用 (Scopus)

Reductive elimination pathway for homocysteine to methionine conversion in cobalamin-dependent methionine synthase

Kozlowski, P. M., Kamachi, T., Kumar, M. & Yoshizawa, K., 4 1 2012, : : Journal of Biological Inorganic Chemistry. 17, 4, p. 611-619 9 p.

研究成果: ジャーナルへの寄稿記事

5-Methyltetrahydrofolate-Homocysteine S-Methyltransferase
Homocysteine
Vitamin B 12
Methionine
Density functional theory
55 引用 (Scopus)

Reversible electron transfer in a linear {Fe 2Co} trinuclear complex induced by thermal treatment and photoirraditaion

Liu, T., Dong, D. P., Kanegawa, S., Kang, S., Sato, O., Shiota, Y., Yoshizawa, K., Hayami, S., Wu, S., He, C. & Duan, C. Y., 4 27 2012, : : Angewandte Chemie - International Edition. 51, 18, p. 4367-4370 4 p.

研究成果: ジャーナルへの寄稿記事

Magnetic polarity
Heat treatment
Electrons
Charge transfer
Magnetic properties
6 引用 (Scopus)

Substituent effects in thermal reactions of a silene with silyl-substituted alkynes: A theoretical study

Tanaka, H., Shiota, Y., Hori, K., Naka, A., Ishikawa, M. & Yoshizawa, K., 7 9 2012, : : Organometallics. 31, 13, p. 4737-4747 11 p.

研究成果: ジャーナルへの寄稿記事

Alkynes
alkynes
acetylene
Acetylene
Derivatives
11 引用 (Scopus)

Substrate specificity of fluoroacetate dehalogenase: An insight from crystallographic analysis, fluorescence spectroscopy, and theoretical computations

Nakayama, T., Kamachi, T., Jitsumori, K., Omi, R., Hirotsu, K., Esaki, N., Kurihara, T. & Yoshizawa, K., 7 2 2012, : : Chemistry - A European Journal. 18, 27, p. 8392-8402 11 p.

研究成果: ジャーナルへの寄稿記事

haloacetate dehalogenase
Fluorescence spectroscopy
Conformations
Fluoroacetates
Substrates
36 引用 (Scopus)

Surface oxygen atom as a cooperative ligand in Pd nanoparticle catalysis for selective hydration of nitriles to amides in water: Experimental and theoretical studies

Shimizu, K. I., Kubo, T., Satsuma, A., Kamachi, T. & Yoshizawa, K., 12 7 2012, : : ACS Catalysis. 2, 12, p. 2467-2474 8 p.

研究成果: ジャーナルへの寄稿記事

Nitriles
Amides
Adatoms
Hydration
Catalysis
2011
27 引用 (Scopus)
formic acid
Carbon Dioxide
Hydrides
Hydrogenation
Molecular orbitals
13 引用 (Scopus)

Catalytic roles of the metal ion in the substrate-binding site of coenzyme B12-dependent diol dehydratase

Kamachi, T., Doitomi, K., Takahata, M., Toraya, T. & Yoshizawa, K., 4 4 2011, : : Inorganic Chemistry. 50, 7, p. 2944-2952 9 p.

研究成果: ジャーナルへの寄稿記事

Propanediol Dehydratase
coenzymes
Metal ions
metal ions
Binding Sites
7 引用 (Scopus)
Molybdenum
Hydrogen
Water
Discrete Fourier transforms
27 引用 (Scopus)

Conductance through short DNA molecules

Staykov, A. T., Tsuji, Y. & Yoshizawa, K., 3 3 2011, : : Journal of Physical Chemistry C. 115, 8, p. 3481-3490 10 p.

研究成果: ジャーナルへの寄稿記事

Nucleotides
DNA
nucleotides
deoxyribonucleic acid
Molecules
61 引用 (Scopus)

Dependence of single-molecule conductance on molecule junction symmetry

Taniguchi, M., Tsutsui, M., Mogi, R., Sugawara, T., Tsuji, Y., Yoshizawa, K. & Kawai, T., 8 3 2011, : : Journal of the American Chemical Society. 133, 30, p. 11426-11429 4 p.

研究成果: ジャーナルへの寄稿記事

Sulfur
Gold
Electrodes
Molecules
Atoms

DFT study of the mechanism for methane hydroxylation by soluble methane monooxygenase

Huang, S. P., Shiota, Y. & Yoshizawa, K., 2011, : : Unknown Journal.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Hydroxylation
Methane
Discrete Fourier transforms
Model structures
63 引用 (Scopus)

Electrochemical and photochemical cyclization and cycloreversion of diarylethenes and diarylethene-capped sexithiophene wires

Staykov, A. T., Areephong, J., Browne, W. R., Feringa, B. L. & Yoshizawa, K., 2 22 2011, : : ACS Nano. 5, 2, p. 1165-1178 14 p.

研究成果: ジャーナルへの寄稿記事

Cyclization
Discrete Fourier transforms
Ground state
Paramagnetic resonance
wire
11 引用 (Scopus)

Generation of adenosyl radical from S-adenosylmethionine (SAM) in biotin synthase

Kamachi, T., Kouno, T., Doitomi, K. & Yoshizawa, K., 6 1 2011, : : Journal of Inorganic Biochemistry. 105, 6, p. 850-857 8 p.

研究成果: ジャーナルへの寄稿記事

S-Adenosylmethionine
Electrons
Chemical activation
Methionine
Atoms
11 引用 (Scopus)

Mechanistic insights into photochromic behavior of a ruthenium(II)- Pterin complex

Ishizuka, T., Sawaki, T., Miyazaki, S., Kawano, M., Shiota, Y., Yoshizawa, K., Fukuzumi, S. & Kojima, T., 6 6 2011, : : Chemistry - A European Journal. 17, 24, p. 6652-6662 11 p.

研究成果: ジャーナルへの寄稿記事

Pterins
Ruthenium
Acetonitrile
Acetone
Isomers
22 引用 (Scopus)

Mechanistic study on the production of hydrogen peroxide in the anthraquinone process

Nishimi, T., Kamachi, T., Kato, K., Kato, T. & Yoshizawa, K., 8 1 2011, : : European Journal of Organic Chemistry. 22, p. 4113-4120 8 p.

研究成果: ジャーナルへの寄稿記事

Anthraquinones
anthraquinones
hydrogen peroxide
Hydrogen Peroxide
Hydrogen
8 引用 (Scopus)

Molecular theory of adhesion of metal/epoxy resin interface

Ohsako, F. & Yoshizawa, K., 2 1 2011, : : KOBUNSHI RONBUNSHU. 68, 2, p. 72-80 9 p.

研究成果: ジャーナルへの寄稿記事

Epoxy Resins
adhesion
Epoxy resins
ether
Ethers
55 引用 (Scopus)

Molecular understanding of the adhesive force between a metal oxide surface and an epoxy resin

Semoto, T., Tsuji, Y. & Yoshizawa, K., 6 16 2011, : : Journal of Physical Chemistry C. 115, 23, p. 11701-11708 8 p.

研究成果: ジャーナルへの寄稿記事

Epoxy Resins
epoxy resins
Epoxy resins
Oxides
adhesives
82 引用 (Scopus)

Molybdenum-catalyzed transformation of molecular dinitrogen into silylamine: Experimental and DFT study on the remarkable role of ferrocenyldiphosphine ligands

Tanaka, H., Sasada, A., Kouno, T., Yuki, M., Miyake, Y., Nakanishi, H., Nishibayashi, Y. & Yoshizawa, K., 3 16 2011, : : Journal of the American Chemical Society. 133, 10, p. 3498-3506 9 p.

研究成果: ジャーナルへの寄稿記事

Molybdenum
Density functional theory
Bearings (structural)
Ligands
Catalysis
61 引用 (Scopus)

Orbital views of molecular conductance perturbed by anchor units

Tsuji, Y., Staykov, A. T. & Yoshizawa, K., 4 20 2011, : : Journal of the American Chemical Society. 133, 15, p. 5955-5965 11 p.

研究成果: ジャーナルへの寄稿記事

Molecular orbitals
Electron Transport
Anchors
Electron transport properties
Aromatic Hydrocarbons
13 引用 (Scopus)

Orbital views of the electron transport through heterocyclic aromatic hydrocarbons

Li, X., Staykov, A. T. & Yoshizawa, K., 12 1 2011, : : Theoretical Chemistry Accounts. 130, 4-6, p. 765-774 10 p.

研究成果: ジャーナルへの寄稿記事

Aromatic Hydrocarbons
Electron Transport
hydrocarbons
orbitals
electrons
21 引用 (Scopus)

Phosphine sulfides as an anchor unit for single molecule junctions

Fukazawa, A., Kiguchi, M., Tange, S., Ichihashi, Y., Zhao, Q., Takahashi, T., Konishi, T., Murakoshi, K., Tsuji, Y., Staykov, A. T., Yoshizawa, K. & Yamaguchi, S., 2 4 2011, : : Chemistry Letters. 40, 2, p. 174-176 3 p.

研究成果: ジャーナルへの寄稿記事

phosphine
Sulfides
Anchors
Molecules
Biphenyl Compounds
12 引用 (Scopus)

Proton-coupled electron shuttling in a covalently linked ruthenium-copper heterodinuclear complex

Ishizuka, T., Tobita, K., Yano, Y., Shiota, Y., Yoshizawa, K., Fukuzumi, S. & Kojima, T., 11 23 2011, : : Journal of the American Chemical Society. 133, 46, p. 18570-18573 4 p.

研究成果: ジャーナルへの寄稿記事

Ruthenium
Amides
Protons
Copper
Electrons
4 引用 (Scopus)
Unsaturated compounds
carbon compounds
Silanes
Silicon
silanes
41 引用 (Scopus)
synthesis
dissociation
Hydrogenation
hydrogenation
Atoms
9 引用 (Scopus)

Theoretical study of oxidation of cyclohexane diol to adipic anhydride by [RuIV(O)(tpa)(H2O)]2+ complex (tpa = Tris(2-pyridylmethyl)amine)

Shiota, Y., Herrera, J. M., Juhász, G., Abe, T., Ohzu, S., Ishizuka, T., Kojima, T. & Yoshizawa, K., 7 4 2011, : : Inorganic Chemistry. 50, 13, p. 6200-6209 10 p.

研究成果: ジャーナルへの寄稿記事

Anhydrides
anhydrides
cyclohexane
Hydrogen
amines
66 引用 (Scopus)
Hydrogenation
hydrogenation
selectivity
dissociation
Decomposition
6 引用 (Scopus)

Theoretical study on the formation of silacyclopropene from acylsilane and acetylene via silene-to-silylene rearrangement

Tanaka, H., Kondo, Y., Shiota, Y., Naka, A., Ishikawa, M. & Yoshizawa, K., 5 17 2011, : : Organometallics. 30, 11, p. 3160-3167 8 p.

研究成果: ジャーナルへの寄稿記事

Acetylene
acetylene
Cycloaddition
cycloaddition
Silanes
2010
48 引用 (Scopus)

A low-spin ruthenium(IV)-oxo complex: Does the spin state have an impact on the reactivity?

Kojima, T., Hirai, Y., Ishizuka, T., Shiota, Y., Yoshizawa, K., Ikemura, K., Ogura, T. & Fukuzumi, S., 11 2 2010, : : Angewandte Chemie - International Edition. 49, 45, p. 8449-8453 5 p.

研究成果: ジャーナルへの寄稿記事

Ruthenium
Bearings (structural)
Catalytic oxidation
Organic compounds
Protons
5 引用 (Scopus)

Mixed-metal complex [Fe(bipe)(Au(CN)2)2·MeOH] with gold clusters: A novel two-dimensional polyrotaxane net clipped by aurophilic interaction

Xu, H., Juhász, G., Yoshizawa, K., Takahashi, M., Kanegawa, S. & Sato, O., 12 1 2010, : : CrystEngComm. 12, 12, p. 4031-4034 4 p.

研究成果: ジャーナルへの寄稿記事

Coordination Complexes
Metal complexes
coordination polymers
Gold
Polymers
26 引用 (Scopus)
Polycyclic Aromatic Hydrocarbons
polycyclic aromatic hydrocarbons
Polycyclic aromatic hydrocarbons
orbitals
Electron transport properties
10 引用 (Scopus)

Synthesis and characterization of ruthenium(II)-pyridylamine complexes with catechol pendants as metal binding sites

Kojima, T., Hirasa, N., Noguchi, D., Ishizuka, T., Miyazaki, S., Shiota, Y., Yoshizawa, K. & Fukuzumi, S., 4 19 2010, : : Inorganic Chemistry. 49, 8, p. 3737-3745 9 p.

研究成果: ジャーナルへの寄稿記事

Ruthenium
ruthenium
Metals
Binding Sites
synthesis
24 引用 (Scopus)

Theoretical analysis of the diradical nature of adenosylcobalamin cofactor-tyrosine complex in B12-dependent mutases: Inspiring PCET-driven enzymatic catalysis

Kozlowski, P. M., Kamachi, T., Kumar, M., Nakayama, T. & Yoshizawa, K., 5 6 2010, : : Journal of Physical Chemistry B. 114, 17, p. 5928-5939 12 p.

研究成果: ジャーナルへの寄稿記事

Intramolecular Transferases
methylaspartate mutase
tyrosine
Methylmalonyl-CoA Mutase
Catalysis
38 引用 (Scopus)

Theoretical study of the mechanism of valence tautomerism in cobalt complexes

Sato, D., Shiota, Y., Juhász, G. & Yoshizawa, K., 12 16 2010, : : Journal of Physical Chemistry A. 114, 49, p. 12928-12935 8 p.

研究成果: ジャーナルへの寄稿記事

Cobalt
Potential energy surfaces
cobalt
valence
Energy gap
28 引用 (Scopus)
crossovers
Total quality management
Potential energy surfaces
atomic energy levels
total quality management
10 引用 (Scopus)

Theoretical study on activation and protonation of dinitrogen on Cubane-Type MIr3S4 Clusters (M = V, Cr, Mn, Fe, Co, Ni, Cu, Mo, Ru, and W)

Tanaka, H., Ohsako, F., Seino, H., Mizobe, Y. & Yoshizawa, K., 3 1 2010, : : Inorganic Chemistry. 49, 5, p. 2464-2470 7 p.

研究成果: ジャーナルへの寄稿記事

cubane
Protonation
Chemical activation
activation
Density functional theory
2009
34 引用 (Scopus)

Bistability of magnetization without spin-transition in a high-spin cobalt(II) complex due to angular momentum quenching

Juhász, G., Matsuda, R., Kanegawa, S., Inoue, K., Sato, O. & Yoshizawa, K., 4 8 2009, : : Journal of the American Chemical Society. 131, 13, p. 4560-4561 2 p.

研究成果: ジャーナルへの寄稿記事

Angular momentum
Cobalt
Quenching
Magnetization
Magnetic susceptibility
70 引用 (Scopus)

Comparison of the reactivity of bis(μ-oxo)CuIICu III and CuIIICuIII species to methane

Shiota, Y. & Yoshizawa, K., 2 2 2009, : : Inorganic Chemistry. 48, 3, p. 838-845 8 p.

研究成果: ジャーナルへの寄稿記事

Methane
methane
reactivity
methane monooxygenase
Copper
17 引用 (Scopus)

DFT study on N2 activation by a hydride-bridged diniobium complex. N≡N Bond cleavage accompanied by H2 evolution

Tanaka, H., Shiota, Y., Matsuo, T., Kawaguchi, H. & Yoshizawa, K., 4 20 2009, : : Inorganic Chemistry. 48, 8, p. 3875-3881 7 p.

研究成果: ジャーナルへの寄稿記事

Hydrides
hydrides
Density functional theory
cleavage
Chemical activation
72 引用 (Scopus)
Aromatization
Metals
Ligands
Decomposition
Thermodynamics
42 引用 (Scopus)
Bearings (structural)
Crystallography
Palladium
Titanium
Platinum
42 引用 (Scopus)

Orbital control of the conductance photoswitching in diarylethene

Tsuji, Y., Staykov, A. T. & Yoshizawa, K., 12 1 2009, : : Journal of Physical Chemistry C. 113, 52, p. 21477-21483 7 p.

研究成果: ジャーナルへの寄稿記事

Discrete Fourier transforms
Spatial distribution
Electron transport properties
Hamiltonians
orbitals
19 引用 (Scopus)

Orbital view concept applied on photoswitching systems

Tsuji, Y., Staykov, A. T. & Yoshizawa, K., 11 30 2009, : : Thin Solid Films. 518, 2, p. 444-447 4 p.

研究成果: ジャーナルへの寄稿記事

Electron transport properties
Photoisomerization
orbitals
predictions
Green's function
44 引用 (Scopus)
Cyclization
closing
Gold
gold
Photoisomerization