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研究成果 1983 2019

記事
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
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
6 引用 (Scopus)
Magnetic couplings
Molecular orbitals
orbitals
Spin polarization
molecular orbitals
8 引用 (Scopus)

Orbital interactions and solvent effects determining the stability of condensed cyclopentadienides in solution

Yoshizawa, K., Yahara, K., Taniguchi, A., Yamabe, T., Kinoshita, T. & Takeuchi, K., 4 16 1999, : : Journal of Organic Chemistry. 64, 8, p. 2821-2829 9 p.

研究成果: ジャーナルへの寄稿記事

Ionization potential
Hardness
Isomers
Electrons
Oxidation
9 引用 (Scopus)

Orbital Interactions between a C 60 Molecule and Cu(111) Surface

Ogawa, A., Tachibana, M., Kondo, M., Yoshizawa, K., Fujimoto, H. & Hoffmann, R., 11 20 2003, : : Journal of Physical Chemistry B. 107, 46, p. 12672-12679 8 p.

研究成果: ジャーナルへの寄稿記事

Adsorption
orbitals
Molecules
Monolayers
rings
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
60 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
145 引用 (Scopus)

Orbital views of the electron transport in molecular devices

Yoshizawa, K., Tada, T. & Staykov, A. T., 7 23 2008, : : Journal of the American Chemical Society. 130, 29, p. 9406-9413 8 p.

研究成果: ジャーナルへの寄稿記事

Electron Transport
Electrodes
Equipment and Supplies
Molecules
Nanowires
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
26 引用 (Scopus)
Polycyclic Aromatic Hydrocarbons
polycyclic aromatic hydrocarbons
Polycyclic aromatic hydrocarbons
orbitals
Electron transport properties
14 引用 (Scopus)
Electron transport properties
Molecular crystals
Aromatic Hydrocarbons
Molecules
Molecular orbitals
47 引用 (Scopus)

Oscillation of conductance in molecular junctions of carbon ladder compounds

Tada, T., Nozaki, D., Kondo, M., Hamayama, S. & Yoshizawa, K., 11 3 2004, : : Journal of the American Chemical Society. 126, 43, p. 14182-14189 8 p.

研究成果: ジャーナルへの寄稿記事

Ladders
Benzene
Carbon
Wire
Polyacetylenes
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
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
10 引用 (Scopus)

Palladium- and platinum-catalyzed reactions of benzo[1,2:4,5]bis(1,1,2,2-tetraethyl-1,2-disilacyclobut-3-ene) with alkenes

Naka, A., Koo Lee, K., Yoshizawa, K., Yamabe, T. & Ishikawa, M., 9 15 1999, : : Journal of Organometallic Chemistry. 587, 1, p. 1-8 8 p.

研究成果: ジャーナルへの寄稿記事

Styrene
Palladium
Alkenes
Platinum
Isomers
42 引用 (Scopus)

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

Kamachi, T., Kouno, T. & Yoshizawa, K., 5 27 2005, : : Journal of Organic Chemistry. 70, 11, p. 4380-4388 9 p.

研究成果: ジャーナルへの寄稿記事

Water
Organometallics
Oxidants
Electron energy levels
Density functional theory
7 引用 (Scopus)

Persistent four-coordinate iron-centered radical stabilized by π-donation

Sunada, Y., Ishida, S., Hirakawa, F., Shiota, Y., Yoshizawa, K., Kanegawa, S., Sato, O., Nagashima, H. & Iwamoto, T., 1 1 2016, : : Chemical Science. 7, 1, p. 191-198 8 p.

研究成果: ジャーナルへの寄稿記事

Iron
Hot Temperature
nonacarbonyl diiron
24 引用 (Scopus)

Phenylamine-functionalized mesoporous silica supported PdAg nanoparticles: A dual heterogeneous catalyst for formic acid/CO2-mediated chemical hydrogen delivery/storage

Mori, K., Masuda, S., Tanaka, H., Yoshizawa, K., Che, M. & Yamashita, H., 1 1 2017, : : Chemical Communications. 53, 34, p. 4677-4680 4 p.

研究成果: ジャーナルへの寄稿記事

formic acid
Aniline Compounds
Formic acid
Aniline
Catalyst supports
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
9 引用 (Scopus)
Gems
Alkenes
Olefins
Styrenes
Cyclopropanes
5 引用 (Scopus)

Photochemical Intramolecular C−H Addition of Dimesityl(hetero)arylboranes through a [1,6]-Sigmatropic Rearrangement

Ando, N., Fukazawa, A., Kushida, T., Shiota, Y., Itoyama, S., Yoshizawa, K., Matsui, Y., Kuramoto, Y., Ikeda, H. & Yamaguchi, S., 1 1 2017, : : Angewandte Chemie - International Edition. 56, 40, p. 12210-12214 5 p.

研究成果: ジャーナルへの寄稿記事

Photochemical reactions
Photolysis
Absorption spectra
Wavelength
Lasers
44 引用 (Scopus)
Cyclization
closing
Gold
gold
Photoisomerization
27 引用 (Scopus)

Photoswitching of conductance through salicylidene methylamine

Staykov, A. T., Watanabe, M., Ishihara, T. & Yoshizawa, K., 1 1 2014, : : Journal of Physical Chemistry C. 118, 47, p. 27539-27548 10 p.

研究成果: ジャーナルへの寄稿記事

Photodiodes
Isomers
Benzene
Molecular electronics
Proton transfer
68 引用 (Scopus)

Photoswitching of conductivity through a diarylperfluorocyclopentene nanowire

Staykov, A. T., Nozaki, D. & Yoshizawa, K., 3 1 2007, : : Journal of Physical Chemistry C. 111, 8, p. 3517-3521 5 p.

研究成果: ジャーナルへの寄稿記事

Molecular electronics
molecular electronics
Molecular orbitals
Green's function
Spatial distribution
42 引用 (Scopus)

Plasma polymerization of 1-benzothiophene

Tanaka, K., Yamabe, T., Takeuchi, T., Yoshizawa, K. & Nishio, S., 12 1 1991, : : Journal of Applied Physics. 70, 10, p. 5653-5660 8 p.

研究成果: ジャーナルへの寄稿記事

polymerization
electrical resistivity
products
electron spin
iodine
46 引用 (Scopus)

Plasma polymerization of thiophene and 3-methylthiophene

Tanaka, K., Yoshizawa, K., Takeuchi, T., Yamabe, T. & Yamauchi, J., 8 15 1990, : : Synthetic Metals. 38, 1, p. 107-116 10 p.

研究成果: ジャーナルへの寄稿記事

Plasma polymerization
Thiophenes
Thiophene
thiophenes
polymerization
1 引用 (Scopus)

Possible D6h structures in neutral and negatively-charged cyclic polyenes

Yoshizawa, K., Kato, T. & Yamabe, T., 2 28 1997, : : Synthetic Metals. 86, 1-3, p. 2397-2398 2 p.

研究成果: ジャーナルへの寄稿記事

Polyenes
Electronic structure
electronic structure
perturbation
61 引用 (Scopus)

Possible intermediates for the conversion of methane to methanol on dinuclear iron centers of methane monooxygenase models

Yoshizawa, K., Yamabe, T. & Hoffmann, R., 12 1 1997, : : New Journal of Chemistry. 21, 2, p. 151-161 11 p.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Methane
Methanol
Iron
Peroxides
7 引用 (Scopus)

Possible nitrogen fixation by disilabutadiene

Yoshizawa, K., Shiota, Y., Kang, S. & Yamabe, T., 11 11 1997, : : Organometallics. 16, 23, p. 5058-5063 6 p.

研究成果: ジャーナルへの寄稿記事

Nitrogen fixation
nitrogenation
butadiene
Diels-Alder reactions
Activation energy
18 引用 (Scopus)

Possible Peroxo State of the Dicopper Site of Particulate Methane Monooxygenase from Combined Quantum Mechanics and Molecular Mechanics Calculations

Itoyama, S., Doitomi, K., Kamachi, T., Shiota, Y. & Yoshizawa, K., 3 21 2016, : : Inorganic Chemistry. 55, 6, p. 2771-2775 5 p.

研究成果: ジャーナルへの寄稿記事

methane monooxygenase
Molecular mechanics
Quantum theory
particulates
quantum mechanics
3 引用 (Scopus)

Possible photoinduced spin transitions in bis(phenylmethylenyl)[2.2]paracyclophanes. A spin-orbit coupling study

Kondo, M., Shiota, Y. & Yoshizawa, K., 8 29 2002, : : Journal of Physical Chemistry A. 106, 34, p. 7915-7920 6 p.

研究成果: ジャーナルへの寄稿記事

Excited states
Orbits
orbits
atomic energy levels
Hamiltonians
59 引用 (Scopus)

Potential Linear‐Chain Organic Ferromagnets

Yoshizawa, K. & Hoffmann, R., 1 1 1995, : : Chemistry – A European Journal. 1, 7, p. 403-413 11 p.

研究成果: ジャーナルへの寄稿記事

Conjugated polymers
Benzene
Electronic properties
Band structure
Structural properties
10 引用 (Scopus)

Proton-Assisted Mechanism of NO Reduction on a Dinuclear Ruthenium Complex

Suzuki, T., Tanaka, H., Shiota, Y., Sajith, P. K., Arikawa, Y. & Yoshizawa, K., 8 3 2015, : : Inorganic Chemistry. 54, 15, p. 7181-7191 11 p.

研究成果: ジャーナルへの寄稿記事

Ruthenium
ruthenium
Protons
retraining
Protonation
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
6 引用 (Scopus)

Push–pull fluorenones and benzazulenequinones: regioselective [4+2] and [2+2] cycloadditions of benzopentalenequinone derivative and alkynes bearing an aniline moiety

Kato, S. I., Kijima, T., Shiota, Y., Yoshihara, T., Tobita, S., Yoshizawa, K. & Nakamura, Y., 1 1 2016, : : Tetrahedron Letters. 57, 41, p. 4604-4607 4 p.

研究成果: ジャーナルへの寄稿記事

Bearings (structural)
Alkynes
Cycloaddition
Cycloaddition Reaction
Derivatives
8 引用 (Scopus)

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

Shiota, Y. & Yoshizawa, K., 11 4 2004, : : Journal of Physical Chemistry B. 108, 44, p. 17226-17237 12 p.

研究成果: ジャーナルへの寄稿記事

Phenylalanine Hydroxylase
phenylalanine
Iron
tyrosine
Tyrosine
30 引用 (Scopus)

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

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

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Phenol
Benzene
phenols
benzene
47 引用 (Scopus)

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

Inoue, T., Shiota, Y. & Yoshizawa, K., 12 17 2008, : : Journal of the American Chemical Society. 130, 50, p. 16890-16897 8 p.

研究成果: ジャーナルへの寄稿記事

Monophenol Monooxygenase
Tyrosine
Protons
Proteins
Proton transfer
8 引用 (Scopus)
Hydroxylation
Methane
Chemical activation
Oxygen
Metals
26 引用 (Scopus)

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

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

研究成果: ジャーナルへの寄稿記事

Gold
Copper
gold
copper
Molecular orbitals
76 引用 (Scopus)

Quantum transport effects in nanosized graphite sheets

Tada, T. & Yoshizawa, K., 12 16 2002, : : ChemPhysChem. 3, 12, p. 1035-1037 3 p.

研究成果: ジャーナルへの寄稿記事

Graphite
switches
graphite
Switches
Molecular orbitals
30 引用 (Scopus)

Quantum transport effects in nanosized graphite sheets. II. Enhanced transport effects by heteroatoms

Tada, T. & Yoshizawa, K., 8 28 2003, : : Journal of Physical Chemistry B. 107, 34, p. 8789-8793 5 p.

研究成果: ジャーナルへの寄稿記事

Graphite
Molecular orbitals
molecular orbitals
graphite
Atoms
31 引用 (Scopus)

Quartet states of non-kekulé molecules 1,3,5-trimethylenebenzene and 1,3,5-triaminobenzene trication

Yoshizawa, K., Hatanaka, M., Ito, A., Tanaka, K. & Yamabe, T., 2 5 1993, : : Chemical Physics Letters. 202, 6, p. 483-488 6 p.

研究成果: ジャーナルへの寄稿記事

Molecules
Geometry
geometry
molecules
Molecular orbitals
15 引用 (Scopus)

Raman scattering in ferromagnetic TDAE-C60 compared to TDAE-C70

Denisov, V. N., Zakhidov, A. A., Ruani, G., Zamboni, R., Taliani, C., Tanaka, K., Yoshizawa, K., Okahara, T., Yamabe, T. & Achiba, Y., 4 5 1993, : : Synthetic Metals. 56, 2-3, p. 3050-3056 7 p.

研究成果: ジャーナルへの寄稿記事

Raman scattering
Raman spectra
Electron-phonon interactions
Laser excitation
Electrons
methane monooxygenase
Methane
Methanol
Hydroxylation
Chemical activation
110 引用 (Scopus)

Reaction paths for the conversion of methane to methanol catalyzed by FeO+

Yoshizawa, K., Shiota, Y. & Yamabe, T., 1 1 1997, : : Chemistry - A European Journal. 3, 7, p. 1160-1169 10 p.

研究成果: ジャーナルへの寄稿記事

Methane
Methanol
Hydrogen
Potential energy surfaces
Molecular orbitals
86 引用 (Scopus)

Reaction pathway for the direct benzene hydroxylation by iron-oxo species

Yoshizawa, K., Shiota, Y. & Yamabe, T., 1 13 1999, : : Journal of the American Chemical Society. 121, 1, p. 147-153 7 p.

研究成果: ジャーナルへの寄稿記事

Hydroxylation
Benzene
Iron
Potential energy surfaces
Methane
46 引用 (Scopus)

Reaction pathways for the oxidation of methanol to formaldehyde by an iron-oxo species

Yoshizawa, K. & Kagawa, Y., 10 19 2000, : : Journal of Physical Chemistry A. 104, 41, p. 9347-9355 9 p.

研究成果: ジャーナルへの寄稿記事

formaldehyde
Formaldehyde
Methanol
Iron
methyl alcohol

Redox behaviour of the β-dihydroporphycene cobalt complex: study on the effect of hydrogenation of the ligand

Hashimoto, K., Koide, T., Okawara, T., Shimakoshi, H., Hori, Y., Shiota, Y., Yoshizawa, K. & Hisaeda, Y., 1 1 2019, : : Dalton Transactions. 48, 3, p. 872-881 10 p.

研究成果: ジャーナルへの寄稿記事

Cobalt
Hydrogenation
Ligands
Anions
Electrons
9 引用 (Scopus)

Redox-Noninnocent Behavior of Tris(2-pyridylmethyl)amine Bound to a Lewis Acidic Rh(III) Ion Induced by C-H Deprotonation

Kotani, H., Sugiyama, T., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., 9 9 2015, : : Journal of the American Chemical Society. 137, 35, p. 11222-11225 4 p.

研究成果: ジャーナルへの寄稿記事

Deprotonation
Oxidation-Reduction
Amines
Ligands
Ions