Pureに変更を加えた場合、すぐここに表示されます。

研究成果 1983 2019

2011
12 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
4 引用 (Scopus)

Theoretical Aspects of Dioxygen Activation in Dicopper Enzymes

Yoshizawa, K., 8 11 2011, Copper-Oxygen Chemistry. John Wiley and Sons, p. 197-224 28 p.

研究成果: 著書/レポートタイプへの貢献

Chemical activation
Oxygen
Enzymes
39 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
65 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
2012

(6)金属と樹脂界面の接着に関する分子論

瀬本貴之, 辻雄太 & 吉澤一成, 4 1 2012, : : 日本接着学会誌 = Journal of the Adhesion Society of Japan : adhesion. 48, 4, p. 144-149 6 p.

研究成果: ジャーナルへの寄稿記事

Analysis of Enzymatic Reactions By Quantum Chemical Calculations

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

研究成果: ジャーナルへの寄稿記事

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

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

Kamachi, T., Nishimi, T. & Yoshizawa, K., 10 14 2012, : : Dalton Transactions. 41, 38, p. 11642-11650 9 p.

研究成果: ジャーナルへの寄稿記事

Heme Oxygenase (Decyclizing)
Heme
Metabolism
Water
Molecules
59 引用 (Scopus)

An orbital rule for electron transport in molecules

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

研究成果: ジャーナルへの寄稿記事

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

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

Staykov, A. T., Li, X., Tsuji, Y. & Yoshizawa, K., 8 30 2012, : : Journal of Physical Chemistry C. 116, 34, p. 18451-18459 9 p.

研究成果: ジャーナルへの寄稿記事

Boron
rectification
boron
Molecular orbitals
Nitrogen
20 引用 (Scopus)

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

Tsuji, Y. & Yoshizawa, K., 12 20 2012, : : Journal of Physical Chemistry C. 116, 50, p. 26625-26635 11 p.

研究成果: ジャーナルへの寄稿記事

rectification
Electron transport properties
Molecules
molecules
transport properties
30 引用 (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., 12 21 2012, : : Organic Letters. 14, 24, p. 6178-6181 4 p.

研究成果: ジャーナルへの寄稿記事

Protonation
Ketones
ketones
esters
Condensation
12 引用 (Scopus)

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

Doitomi, K., Kamachi, T., Toraya, T. & Yoshizawa, K., 11 13 2012, : : Biochemistry. 51, 45, p. 9202-9210 9 p.

研究成果: ジャーナルへの寄稿記事

Propanediol Dehydratase
Dehydration
Glycerol
Conformations
Hydrogen
8 引用 (Scopus)
Ribs
Catalysis
Energy barriers
Electrons
Hydrogen
74 引用 (Scopus)

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

Yuki, M., Tanaka, H., Sasaki, K., Miyake, Y., Yoshizawa, K. & Nishibayashi, Y., 12 1 2012, : : Nature communications. 3, 1254.

研究成果: ジャーナルへの寄稿記事

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

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

Li, J. & Yoshizawa, K., 1 16 2012, : : Chemistry - A European Journal. 18, 3, p. 783-787 5 p.

研究成果: ジャーナルへの寄稿記事

Quinoxalines
Tungsten
Discrete Fourier transforms
Hydrides
34 引用 (Scopus)

Molecular rectifier based on π-π Stacked charge transfer complex

Tsuji, Y., Staykov, A. T. & Yoshizawa, K., 1 26 2012, : : Journal of Physical Chemistry C. 116, 3, p. 2575-2580 6 p.

研究成果: ジャーナルへの寄稿記事

rectifiers
Charge transfer
charge transfer
quinones
Electron transport properties
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
35 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
2013
2 引用 (Scopus)

A bipodal dicyano anchor unit for single-molecule spintronic devices

Tsuji, Y., Semoto, T. & Yoshizawa, K., 8 5 2013, : : ChemPhysChem. 14, 11, p. 2470-2475 6 p.

研究成果: ジャーナルへの寄稿記事

Magnetoelectronics
Anchors
Molecules
electrodes
molecular energy levels
98 引用 (Scopus)

A light-induced spin crossover actuated single-chain magnet

Liu, T., Zheng, H., Kang, S., Shiota, Y., Hayami, S., Mito, M., Sato, O., Yoshizawa, K., Kanegawa, S. & Duan, C., 1 1 2013, : : Nature communications. 4, 2826.

研究成果: ジャーナルへの寄稿記事

Magnets
crossovers
magnets
Iron
Light
4 引用 (Scopus)

Asymmetric diarylethene as a dual-functional device combining switch and diode

Tsuji, Y., Koga, J. & Yoshizawa, K., 8 29 2013, : : Bulletin of the Chemical Society of Japan. 86, 8, p. 947-954 8 p.

研究成果: ジャーナルへの寄稿記事

Diodes
Switches
Silicon
Electron transport properties
Molecular electronics
6 引用 (Scopus)

Complete photochromic structural changes in ruthenium(II)-diimine complexes, based on control of the excited states by metalation

Sawaki, T., Ishizuka, T., Kawano, M., Shiota, Y., Yoshizawa, K. & Kojima, T., 7 1 2013, : : Chemistry - A European Journal. 19, 27, p. 8978-8990 13 p.

研究成果: ジャーナルへの寄稿記事

Ruthenium
Excited states
Ligands
Metals
Derivatives
168 引用 (Scopus)

Computational prediction for singlet- and triplet-transition energies of charge-transfer compounds

Huang, S., Zhang, Q., Shiota, Y., Nakagawa, T., Kuwabara, K., Yoshizawa, K. & Adachi, C., 9 10 2013, : : Journal of Chemical Theory and Computation. 9, 9, p. 3872-3877 6 p.

研究成果: ジャーナルへの寄稿記事

Excited states
Charge transfer
charge transfer
predictions
atomic energy levels
20 引用 (Scopus)
methane monooxygenase
Hydroxylation
Methane
Density functional theory
Oxidation
63 引用 (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., 8 14 2013, : : Journal of the American Chemical Society. 135, 32, p. 11791-11794 4 p.

研究成果: ジャーナルへの寄稿記事

Bearings (structural)
Iridium
Ammonia
Ligands
Discrete Fourier transforms
3 引用 (Scopus)

Heteronuclear RuIIAgI complexes having a pyrroloquinolinequinone derivative as a bridging ligand

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

研究成果: ジャーナルへの寄稿記事

Ligands
Derivatives
ligands
Acetone
acetone
26 引用 (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., 7 7 2013, : : Chemical Communications. 49, 53, p. 5939-5941 3 p.

研究成果: ジャーナルへの寄稿記事

Porphyrins
Electrochemical properties
Optical properties
Fusion reactions
Physical properties
41 引用 (Scopus)
Magnetic structure
Discrete Fourier transforms
Magnetic properties
Single crystals
X ray diffraction
9 引用 (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., 11 7 2013, : : Journal of Physical Chemistry C. 117, 44, p. 22967-22973 7 p.

研究成果: ジャーナルへの寄稿記事

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

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

Semoto, T., Tsuji, Y., Tanaka, H. & Yoshizawa, K., 11 27 2013, : : Journal of Physical Chemistry C. 117, 47, p. 24830-24835 6 p.

研究成果: ジャーナルへの寄稿記事

Epoxy Resins
epoxy resins
carbon fibers
Epoxy resins
resins
39 引用 (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., 2 5 2013, : : International Journal of Quantum Chemistry. 113, 3, p. 171-172 2 p.

研究成果: ジャーナルへの寄稿編集

14 引用 (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., 2 6 2013, : : Journal of the American Chemical Society. 135, 5, p. 1731-1734 4 p.

研究成果: ジャーナルへの寄稿記事

Thiophenes
Alkynes
Cycloaddition
Cycloaddition Reaction
Thiophene
2014
4 引用 (Scopus)

Binding of Scandium Ions to Metalloporphyrin-Flavin Complexes for Long-Lived Charge Separation

Kojima, T., Kobayashi, R., Ishizuka, T., Yamakawa, S., Kotani, H., Nakanishi, T., Ohkubo, K., Shiota, Y., Yoshizawa, K. & Fukuzumi, S., 11 1 2014, : : Chemistry - A European Journal. 20, 47, p. 15518-15532 15 p.

研究成果: ジャーナルへの寄稿記事

Scandium
Metalloporphyrins
Ions
Electrons
Porphyrins