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Research Output 1983 2019

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Article
2012
13 Citations (Scopus)
Epoxy Resins
Surface waters
Oxides
Adhesives
Adhesion
17 Citations (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., Jun 1 2012, In : Chemistry - An Asian Journal. 7, 6, p. 1231-1242 12 p.

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

Cyanides
cyanides
Anchors
Molecular orbitals
orbitals
8 Citations (Scopus)

Orbital determining spintronic properties of a π-conjugated system

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

Research output: Contribution to journalArticle

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

Oxygen activation on nanometer-size gold nanoparticles

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

Research output: Contribution to journalArticle

Gold
Chemical activation
activation
gold
Oxygen
4 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

5-Methyltetrahydrofolate-Homocysteine S-Methyltransferase
Homocysteine
Vitamin B 12
Methionine
Density functional theory
55 Citations (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., Apr 27 2012, In : Angewandte Chemie - International Edition. 51, 18, p. 4367-4370 4 p.

Research output: Contribution to journalArticle

Magnetic polarity
Heat treatment
Electrons
Charge transfer
Magnetic properties
6 Citations (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., Jul 9 2012, In : Organometallics. 31, 13, p. 4737-4747 11 p.

Research output: Contribution to journalArticle

Alkynes
alkynes
acetylene
Acetylene
Derivatives
11 Citations (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., Jul 2 2012, In : Chemistry - A European Journal. 18, 27, p. 8392-8402 11 p.

Research output: Contribution to journalArticle

haloacetate dehalogenase
Fluorescence spectroscopy
Conformations
Fluoroacetates
Substrates
36 Citations (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., Dec 7 2012, In : ACS Catalysis. 2, 12, p. 2467-2474 8 p.

Research output: Contribution to journalArticle

Nitriles
Amides
Adatoms
Hydration
Catalysis

ⅩⅣ.接着の物理(6)金属と樹脂界面の接着に関する分子論

Translated title of the contribution: Molecular Theory of the Adhesion between Metal and Resin瀬本貴之, 辻雄太 & 吉澤一成, 2012, In : 日本接着学会誌 = Journal of the Adhesion Society of Japan : adhesion. 48, 4, p. 144-149 6 p.

Research output: Contribution to journalArticle

2011
27 Citations (Scopus)
formic acid
Carbon Dioxide
Hydrides
Hydrogenation
Molecular orbitals
13 Citations (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., Apr 4 2011, In : Inorganic Chemistry. 50, 7, p. 2944-2952 9 p.

Research output: Contribution to journalArticle

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

Conductance through short DNA molecules

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

Research output: Contribution to journalArticle

Nucleotides
DNA
nucleotides
deoxyribonucleic acid
Molecules
61 Citations (Scopus)

Dependence of single-molecule conductance on molecule junction symmetry

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

Research output: Contribution to journalArticle

Sulfur
Gold
Electrodes
Molecules
Atoms
methane monooxygenase
Hydroxylation
Methane
Discrete Fourier transforms
Model structures
63 Citations (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., Feb 22 2011, In : ACS Nano. 5, 2, p. 1165-1178 14 p.

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

S-Adenosylmethionine
Electrons
Chemical activation
Methionine
Atoms
11 Citations (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., Jun 6 2011, In : Chemistry - A European Journal. 17, 24, p. 6652-6662 11 p.

Research output: Contribution to journalArticle

Pterins
Ruthenium
Acetonitrile
Acetone
Isomers
22 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

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

Molecular theory of adhesion of metal/epoxy resin interface

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

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

Epoxy Resins
epoxy resins
Epoxy resins
Oxides
adhesives
82 Citations (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., Mar 16 2011, In : Journal of the American Chemical Society. 133, 10, p. 3498-3506 9 p.

Research output: Contribution to journalArticle

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

Orbital views of molecular conductance perturbed by anchor units

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

Research output: Contribution to journalArticle

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

Orbital views of the electron transport through heterocyclic aromatic hydrocarbons

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

Research output: Contribution to journalArticle

Aromatic Hydrocarbons
Electron Transport
hydrocarbons
orbitals
electrons
21 Citations (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., Feb 4 2011, In : Chemistry Letters. 40, 2, p. 174-176 3 p.

Research output: Contribution to journalArticle

phosphine
Sulfides
Anchors
Molecules
Biphenyl Compounds
12 Citations (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., Nov 23 2011, In : Journal of the American Chemical Society. 133, 46, p. 18570-18573 4 p.

Research output: Contribution to journalArticle

Ruthenium
Amides
Protons
Copper
Electrons
4 Citations (Scopus)
Unsaturated compounds
carbon compounds
Silanes
Silicon
silanes
41 Citations (Scopus)
synthesis
dissociation
Hydrogenation
hydrogenation
Atoms
9 Citations (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., Jul 4 2011, In : Inorganic Chemistry. 50, 13, p. 6200-6209 10 p.

Research output: Contribution to journalArticle

Anhydrides
anhydrides
cyclohexane
Hydrogen
amines
66 Citations (Scopus)
Hydrogenation
hydrogenation
selectivity
dissociation
Decomposition
6 Citations (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., May 17 2011, In : Organometallics. 30, 11, p. 3160-3167 8 p.

Research output: Contribution to journalArticle

Acetylene
acetylene
Cycloaddition
cycloaddition
Silanes
2010
48 Citations (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., Nov 2 2010, In : Angewandte Chemie - International Edition. 49, 45, p. 8449-8453 5 p.

Research output: Contribution to journalArticle

Ruthenium
Bearings (structural)
Catalytic oxidation
Organic compounds
Protons
5 Citations (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., Dec 1 2010, In : CrystEngComm. 12, 12, p. 4031-4034 4 p.

Research output: Contribution to journalArticle

Coordination Complexes
Metal complexes
coordination polymers
Gold
Polymers
26 Citations (Scopus)
Polycyclic Aromatic Hydrocarbons
polycyclic aromatic hydrocarbons
Polycyclic aromatic hydrocarbons
orbitals
Electron transport properties
10 Citations (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., Apr 19 2010, In : Inorganic Chemistry. 49, 8, p. 3737-3745 9 p.

Research output: Contribution to journalArticle

Ruthenium
ruthenium
Metals
Binding Sites
synthesis
24 Citations (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., May 6 2010, In : Journal of Physical Chemistry B. 114, 17, p. 5928-5939 12 p.

Research output: Contribution to journalArticle

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

Theoretical study of the mechanism of valence tautomerism in cobalt complexes

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

Research output: Contribution to journalArticle

Cobalt
Potential energy surfaces
cobalt
valence
Energy gap
28 Citations (Scopus)
crossovers
Total quality management
Potential energy surfaces
atomic energy levels
total quality management
10 Citations (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., Mar 1 2010, In : Inorganic Chemistry. 49, 5, p. 2464-2470 7 p.

Research output: Contribution to journalArticle

cubane
Protonation
Chemical activation
activation
Density functional theory
2009
34 Citations (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., Apr 8 2009, In : Journal of the American Chemical Society. 131, 13, p. 4560-4561 2 p.

Research output: Contribution to journalArticle

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

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

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

Research output: Contribution to journalArticle

Methane
methane
reactivity
methane monooxygenase
Copper
17 Citations (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., Apr 20 2009, In : Inorganic Chemistry. 48, 8, p. 3875-3881 7 p.

Research output: Contribution to journalArticle

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

Orbital control of the conductance photoswitching in diarylethene

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

Research output: Contribution to journalArticle

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

Orbital view concept applied on photoswitching systems

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

Research output: Contribution to journalArticle

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