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Research Output 1983 2019

2013
66 Citations (Scopus)

Facile N-H bond cleavage of ammonia by an iridium complex bearing a noninnocent PNP-pincer type phosphaalkene ligand

Chang, Y. H., Nakajima, Y., Tanaka, H., Yoshizawa, K. & Ozawa, F., Aug 14 2013, In : Journal of the American Chemical Society. 135, 32, p. 11791-11794 4 p.

Research output: Contribution to journalArticle

Bearings (structural)
Iridium
Ammonia
Ligands
Discrete Fourier transforms
4 Citations (Scopus)

Heteronuclear RuIIAgI complexes having a pyrroloquinolinequinone derivative as a bridging ligand

Mitome, H., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Mar 11 2013, In : Inorganic chemistry. 52, 5, p. 2274-2276 3 p.

Research output: Contribution to journalArticle

Ligands
Derivatives
ligands
Acetone
acetone
29 Citations (Scopus)

Multiply-fused porphyrins - Effects of extended π-conjugation on the optical and electrochemical properties

Ishizuka, T., Saegusa, Y., Shiota, Y., Ohtake, K., Yoshizawa, K. & Kojima, T., Jul 7 2013, In : Chemical Communications. 49, 53, p. 5939-5941 3 p.

Research output: Contribution to journalArticle

Porphyrins
Electrochemical properties
Optical properties
Fusion reactions
Physical properties
45 Citations (Scopus)
Magnetic structure
Discrete Fourier transforms
Magnetic properties
Single crystals
X ray diffraction
10 Citations (Scopus)

Oxidation of silanes to silanols on Pd nanoparticles: H2 desorption accelerated by surface oxygen atom

Kamachi, T., Shimizu, K. I., Yoshihiro, D., Igawa, K., Tomooka, K. & Yoshizawa, K., Nov 7 2013, In : Journal of Physical Chemistry C. 117, 44, p. 22967-22973 7 p.

Research output: Contribution to journalArticle

Silanes
silanes
oxygen atoms
Desorption
desorption
9 Citations (Scopus)
Hydroxylation
Methane
Chemical activation
Oxygen
Metals
21 Citations (Scopus)

Role of edge oxygen atoms on the adhesive interaction between carbon fiber and epoxy resin

Semoto, T., Tsuji, Y., Tanaka, H. & Yoshizawa, K., Nov 27 2013, In : Journal of Physical Chemistry C. 117, 47, p. 24830-24835 6 p.

Research output: Contribution to journalArticle

Epoxy Resins
epoxy resins
carbon fibers
Epoxy resins
resins
41 Citations (Scopus)
methane monooxygenase
tyrosine
Methane
particulates
Density functional theory

Special issue: Seventh congress of the international society for theoretical chemical physics

Nakai, H., Yoshizawa, K., Ando, K., Nakajima, T. & Brändas, E. J., Feb 5 2013, In : International Journal of Quantum Chemistry. 113, 3, p. 171-172 2 p.

Research output: Contribution to journalEditorial

15 Citations (Scopus)

Thiophene-fused bisdehydro[12]annulene that undergoes transannular alkyne cycloaddition by either light or heat

Fukazawa, A., Oshima, H., Shiota, Y., Takahashi, S., Yoshizawa, K. & Yamaguchi, S., Feb 6 2013, In : Journal of the American Chemical Society. 135, 5, p. 1731-1734 4 p.

Research output: Contribution to journalArticle

Thiophenes
Alkynes
Cycloaddition
Cycloaddition Reaction
Thiophene
2012

(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, Apr 1 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

Analysis of Enzymatic Reactions By Quantum Chemical Calculations

Yoshizawa, K., Jan 1 2012, In : Yakugaku Zasshi. 132, 8, p. 863-871 9 p.

Research output: Contribution to journalArticle

Propanediol Dehydratase
Quantum Theory
Catalytic Domain
methane monooxygenase
Amino Acids
3 Citations (Scopus)

A new understanding on how heme metabolism occurs in heme oxygenase: Water-assisted oxo mechanism

Kamachi, T., Nishimi, T. & Yoshizawa, K., Oct 14 2012, In : Dalton Transactions. 41, 38, p. 11642-11650 9 p.

Research output: Contribution to journalArticle

Heme Oxygenase (Decyclizing)
Heme
Metabolism
Water
Molecules
65 Citations (Scopus)

An orbital rule for electron transport in molecules

Yoshizawa, K., Sep 18 2012, In : Accounts of Chemical Research. 45, 9, p. 1612-1621 10 p.

Research output: Contribution to journalArticle

Molecules
Metals
Electron transport properties
Derivatives
Green's function
15 Citations (Scopus)

Current rectification in nitrogen- and boron-doped nanographenes and cyclophanes

Staykov, A., Li, X., Tsuji, Y. & Yoshizawa, K., Aug 30 2012, In : Journal of Physical Chemistry C. 116, 34, p. 18451-18459 9 p.

Research output: Contribution to journalArticle

Boron
rectification
boron
Molecular orbitals
Nitrogen
20 Citations (Scopus)

Current rectification through π-π Stacking in multilayered donor-acceptor cyclophanes

Tsuji, Y. & Yoshizawa, K., Dec 20 2012, In : Journal of Physical Chemistry C. 116, 50, p. 26625-26635 11 p.

Research output: Contribution to journalArticle

rectification
Electron transport properties
Molecules
molecules
transport properties
31 Citations (Scopus)

Hydrolytic enantioselective protonation of cyclic dienyl esters and a β-diketone with chiral phase-transfer catalysts

Yamamoto, E., Gokuden, D., Nagai, A., Kamachi, T., Yoshizawa, K., Hamasaki, A., Ishida, T. & Tokunaga, M., Dec 21 2012, In : Organic Letters. 14, 24, p. 6178-6181 4 p.

Research output: Contribution to journalArticle

Protonation
Ketones
ketones
esters
Condensation
13 Citations (Scopus)

Inactivation mechanism of glycerol dehydration by diol dehydratase from combined quantum mechanical/molecular mechanical calculations

Doitomi, K., Kamachi, T., Toraya, T. & Yoshizawa, K., Nov 13 2012, In : Biochemistry. 51, 45, p. 9202-9210 9 p.

Research output: Contribution to journalArticle

Propanediol Dehydratase
Dehydration
Glycerol
Conformations
Hydrogen
9 Citations (Scopus)
Ribs
Catalysis
Energy barriers
Electrons
Hydrogen
74 Citations (Scopus)

Iron-catalysed transformation of molecular dinitrogen into silylamine under ambient conditions

Yuki, M., Tanaka, H., Sasaki, K., Miyake, Y., Yoshizawa, K. & Nishibayashi, Y., Dec 1 2012, In : Nature communications. 3, 1254.

Research output: Contribution to journalArticle

Iron
iron
Nitrogen Fixation
Catalysts
Transition metals
6 Citations (Scopus)

Mechanistic insight into the cleavage of an aromatic C-C bond by tungsten

Li, J. & Yoshizawa, K., Jan 16 2012, In : Chemistry - A European Journal. 18, 3, p. 783-787 5 p.

Research output: Contribution to journalArticle

Quinoxalines
Tungsten
Discrete Fourier transforms
Hydrides
34 Citations (Scopus)

Molecular rectifier based on π-π Stacked charge transfer complex

Tsuji, Y., Staykov, A. T. & Yoshizawa, K., Jan 26 2012, In : Journal of Physical Chemistry C. 116, 3, p. 2575-2580 6 p.

Research output: Contribution to journalArticle

rectifiers
Charge transfer
charge transfer
quinones
Electron transport properties
14 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., 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
56 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
12 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
39 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
8 Citations (Scopus)
Molybdenum
Hydrogen
Water
Discrete Fourier transforms
32 Citations (Scopus)

Conductance through short DNA molecules

Staykov, A., 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
62 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
65 Citations (Scopus)

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

Staykov, A., 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

Erratum: Mechanistic Insights into Photochromic Behavior of a Ruthenium(II)-Pterin Complex (Chemistry - A European Journal 17 (2011))

Ishizuka, T., Sawaki, T., Miyazaki, S., Kawano, M., Shiota, Y., Yoshizawa, K., Fukuzumi, S. & Kojima, T., Aug 29 2011, In : Chemistry - A European Journal. 17, 36, 1 p.

Research output: Contribution to journalComment/debate

Photochromism
Ruthenium
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
23 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
59 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
62 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. & 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