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Research Output 1983 2019

Article
4 Citations (Scopus)

First observation of clusters for solvated tropylium ions

Kinoshita, T., Wakisaka, A., Yasumoto, C., Takeuchi, K., Yoshizawa, K., Suzuki, A. & Yamabe, T., Sep 21 2001, In : Chemical Communications. 18, p. 1768-1769 2 p.

Research output: Contribution to journalArticle

Solvation
Mass spectrometers
Ions
tropylium
11 Citations (Scopus)

First-principles calculations of electron transport through azulene

El-Nahas, A. M., Staykov, A. T. & Yoshizawa, K., May 5 2016, In : Journal of Physical Chemistry C. 120, 17, p. 9043-9052 10 p.

Research output: Contribution to journalArticle

azulene
Hamiltonians
Naphthalene
Green's function
Density functional theory
18 Citations (Scopus)

Formation and characterization of a reactive chromium(V)-oxo complex: Mechanistic insight into hydrogen-atom transfer reactions

Kotani, H., Kaida, S., Ishizuka, T., Sakaguchi, M., Ogura, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Feb 1 2015, In : Chemical Science. 6, 2, p. 945-955 11 p.

Research output: Contribution to journalArticle

Chromium
Hydrogen
Atoms
Electrons
Oxidation
10 Citations (Scopus)

Formation and High Reactivity of the anti-Dioxo Form of High-Spin μ-Oxodioxodiiron(IV) as the Active Species That Cleaves Strong C-H Bonds

Kodera, M., Ishiga, S., Tsuji, T., Sakurai, K., Hitomi, Y., Shiota, Y., Sajith, P. K., Yoshizawa, K., Mieda, K. & Ogura, T., Apr 18 2016, In : Chemistry - A European Journal. 22, 17, p. 5924-5936 13 p.

Research output: Contribution to journalArticle

Alkanes
Oxidants
Paraffins
Substrates
Toluene
4 Citations (Scopus)

Formation and Isolation of a Four-Electron-Reduced Porphyrin Derivative by Reduction of a Stable 20π Isophlorin

Suzuki, W., Kotani, H., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Feb 12 2018, In : Angewandte Chemie - International Edition. 57, 7, p. 1973-1977 5 p.

Research output: Contribution to journalArticle

Porphyrins
Derivatives
Electrons
Conformations
Protons
12 Citations (Scopus)

Formation and nitrile hydrogenation performance of Ru nanoparticles on a K-doped Al2O3 surface

Muratsugu, S., Kityakarn, S., Wang, F., Ishiguro, N., Kamachi, T., Yoshizawa, K., Sekizawa, O., Uruga, T. & Tada, M., Aug 14 2015, In : Physical Chemistry Chemical Physics. 17, 38, p. 24791-24802 12 p.

Research output: Contribution to journalArticle

Nitriles
nitriles
Hydrogenation
hydrogenation
Nanoparticles
60 Citations (Scopus)

Formation of an iron-oxo species upon decomposition of dinitrogen oxide on a model of Fe-ZSM-5 zeolite

Yoshizawa, K., Yumura, T., Shiota, Y. & Yamabe, T., Jan 1 2000, In : Bulletin of the Chemical Society of Japan. 73, 1, p. 29-36 8 p.

Research output: Contribution to journalArticle

Oxides
Iron
Oxygen
Decomposition
Methane

Formation of a Ruthenium(V) - Imido Complex and the Reactivity in Substrate Oxidation in Water through the Nitrogen Non-Rebound Mechanism

Ishizuka, T., Kogawa, T., Makino, M., Shiota, Y., Ohara, K., Kotani, H., Nozawa, S., Adachi, S. I., Yamaguchi, K., Yoshizawa, K. & Kojima, T., Oct 7 2019, In : Inorganic chemistry. 58, 19, p. 12815-12824 10 p.

Research output: Contribution to journalArticle

Ruthenium
ruthenium
Nitrogen
reactivity
nitrogen
3 Citations (Scopus)

Formation of supramolecular hetero-triads by controlling the hydrogen bonding of conjugate bases with a diprotonated porphyrin based on electrostatic interaction

Suzuki, W., Kotani, H., Ishizuka, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Jan 1 2017, In : Chemical Communications. 53, 47, p. 6359-6362 4 p.

Research output: Contribution to journalArticle

Porphyrins
Coulomb interactions
Hydrogen bonds
Acids
Thermodynamic stability
8 Citations (Scopus)

Frontier Orbital Perspective for Quantum Interference in Alternant and Nonalternant Hydrocarbons

Tsuji, Y. & Yoshizawa, K., May 4 2017, In : Journal of Physical Chemistry C. 121, 17, p. 9621-9626 6 p.

Research output: Contribution to journalArticle

Hydrocarbons
Quantum interference phenomena
hydrocarbons
interference
Molecular electronics
1 Citation (Scopus)
Hysteresis
Polymers
Thiosemicarbazones
Cations
Hydrogen bonds

Fundamental electron-transfer and proton-coupled electron-transfer properties of Ru(iv)-oxo complexes

Kotani, H., Shimomura, H., Horimoto, M., Ishizuka, T., Shiota, Y., Yoshizawa, K., Yanagisawa, S., Kawahara-Nakagawa, Y., Kubo, M. & Kojima, T., Jan 1 2019, In : Dalton Transactions. 48, 35, p. 13154-13161 8 p.

Research output: Contribution to journalArticle

Protons
Electrons
Discrete Fourier transforms
Oxidation
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

Giant anisotropic thermal expansion actuated by thermodynamically assisted reorientation of imidazoliums in a single crystal

Yao, Z. S., Guan, H., Shiota, Y., He, C. T., Wang, X. L., Wu, S. Q., Zheng, X., Su, S. Q., Yoshizawa, K., Kong, X., Sato, O. & Tao, J., Dec 1 2019, In : Nature communications. 10, 1, 4805.

Research output: Contribution to journalArticle

Open Access
retraining
Thermal expansion
thermal expansion
Hot Temperature
Single crystals
49 Citations (Scopus)
Green's function
Green's functions
wire
Wire
formalism
10 Citations (Scopus)

Ground-State Copper(III) Stabilized by N-Confused/N-Linked Corroles: Synthesis, Characterization, and Redox Reactivity

Maurya, Y. K., Noda, K., Yamasumi, K., Mori, S., Uchiyama, T., Kamitani, K., Hirai, T., Ninomiya, K., Nishibori, M., Hori, Y., Shiota, Y., Yoshizawa, K., Ishida, M. & Furuta, H., Jun 6 2018, In : Journal of the American Chemical Society. 140, 22, p. 6883-6892 10 p.

Research output: Contribution to journalArticle

Organometallics
Ground state
Oxidation-Reduction
Copper
Shells (structures)
16 Citations (Scopus)

Heterometallic FeIII/K Coordination Polymer with a Wide Thermal Hysteretic Spin Transition at Room Temperature

Kang, S., Shiota, Y., Kariyazaki, A., Kanegawa, S., Yoshizawa, K. & Sato, O., Jan 11 2016, In : Chemistry - A European Journal. 22, 2, p. 532-538 7 p.

Research output: Contribution to journalArticle

Alkali Metals
Hysteresis
Polymers
Alkali metals
Cations
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
175 Citations (Scopus)

Highly versatile organostibine mediators for living radical polymerization

Yamago, S., Ray, B., Iida, K., Yoshida, J. I., Tada, T., Yoshizawa, K., Kwak, Y., Goto, A. & Fukuda, T., Nov 3 2004, In : Journal of the American Chemical Society. 126, 43, p. 13908-13909 2 p.

Research output: Contribution to journalArticle

Living polymerization
Free radical polymerization
Polymerization
Monomers
Polydispersity
1 Citation (Scopus)

High-spin state instability in nitroxide triradical coupled through m-phenylene

Yoshizawa, K., Kuga, T., Hatanaka, M., Tanaka, K. & Yamabe, T., Mar 15 1997, In : Synthetic Metals. 85, 1-3, p. 1765-1766 2 p.

Research output: Contribution to journalArticle

Molecular orbitals
Electronic structure
molecular orbitals
electronic structure
perturbation
2 Citations (Scopus)

High-temperature cooperative spin crossover transitions and single-crystal reflection spectra of [Fe III (qsal) 2 ](CH 3 OSO 3 ) and related compounds

Takahashi, K., Yamamoto, K., Yamamoto, T., Einaga, Y., Shiota, Y., Yoshizawa, K. & Mori, H., Jan 1 2019, In : Crystals. 9, 2, 81.

Research output: Contribution to journalArticle

Open Access
OSO-3
Optical conductivity
crossovers
Crystal structure
Single crystals
32 Citations (Scopus)

Homogeneous Photocatalytic Water Oxidation with a Dinuclear CoIII-Pyridylmethylamine Complex

Ishizuka, T., Watanabe, A., Kotani, H., Hong, D., Satonaka, K., Wada, T., Shiota, Y., Yoshizawa, K., Ohara, K., Yamaguchi, K., Kato, S., Fukuzumi, S. & Kojima, T., Feb 1 2016, In : Inorganic Chemistry. 55, 3, p. 1154-1164 11 p.

Research output: Contribution to journalArticle

Oxidation
oxidation
Water
Oxidants
water
33 Citations (Scopus)

How axial ligands control the reactivity of high-valent iron(IV)-oxo porphyrin π-cation radicals in alkane hydroxylation: A computational study

Kamachi, T., Kouno, T., Nam, W. & Yoshizawa, K., Apr 1 2006, In : Journal of Inorganic Biochemistry. 100, 4, p. 751-754 4 p.

Research output: Contribution to journalArticle

Hydroxylation
Alkanes
Porphyrins
Cations
Ligands
36 Citations (Scopus)

How Heme Metabolism Occurs in Heme Oxygenase: Computational Study of Oxygen-Donation Ability of the Oxo and Hydroperoxo Species

Kamachi, T., Shestakov, A. F. & Yoshizawa, K., Mar 31 2004, In : Journal of the American Chemical Society. 126, 12, p. 3672-3673 2 p.

Research output: Contribution to journalArticle

Heme Oxygenase (Decyclizing)
Heme
Metabolism
Iron
Oxygen
7 Citations (Scopus)

Hydrocarbon Anions with High Stability. Part 2.1} Structure and Stability of Cyclopentadienide Ions with Condensed Aromatic Rings

Kinoshita, T., Fujita, M., Kaneko, H., Takeuchi, K., Yoshizawa, K. & Yamabe, T., Jan 1 1998, In : Bulletin of the Chemical Society of Japan. 71, 5, p. 1145-1149 5 p.

Research output: Contribution to journalArticle

Hydrocarbons
Anions
Solvation
Ions
Gases
17 Citations (Scopus)

Hydrogen atom abstraction reactions independent of C-H bond dissociation energies of organic substrates in water: Significance of oxidant-substrate adduct formation

Ishizuka, T., Ohzu, S., Kotani, H., Shiota, Y., Yoshizawa, K. & Kojima, T., Apr 1 2014, In : Chemical Science. 5, 4, p. 1429-1436 8 p.

Research output: Contribution to journalArticle

Oxidants
Hydrogen
Atoms
Water
Methanol
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
2 Citations (Scopus)

Importance of the Reactant-State Potentials of Chromium(V)-Oxo Complexes to Determine the Reactivity in Hydrogen-Atom Transfer Reactions

Kotani, H., Kaida, S., Ishizuka, T., Mieda, K., Sakaguchi, M., Ogura, T., Shiota, Y., Yoshizawa, K. & Kojima, T., Nov 5 2018, In : Inorganic Chemistry. 57, 21, p. 13929-13936 8 p.

Research output: Contribution to journalArticle

Chromium
Hydrogen
chromium
hydrogen atoms
reactivity
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
3 Citations (Scopus)

Interaction of SrO-terminated SrTiO3 surface with oxygen, carbon dioxide, and water

Staykov, A., Fukumori, S., Yoshizawa, K., Sato, K., Ishihara, T. & Kilner, J., Jan 1 2018, In : Journal of Materials Chemistry A. 6, 45, p. 22662-22672 11 p.

Research output: Contribution to journalArticle

Carbon Dioxide
Carbon dioxide
Oxygen
Water
Molecular oxygen

Interaction of two solitons on two trans-polyacetylene chains

Yoshizawa, K., Tanaka, K. & Yamabe, T., Jan 1 1990, In : Synthetic Metals. 36, 1, p. 75-81 7 p.

Research output: Contribution to journalArticle

Polyacetylenes
polyacetylene
Solitons
solitary waves
Photoexcitation
15 Citations (Scopus)

Interchain interactions in one-dimensional periodic systems: An analysis of second-order effects causing deformation

Yoshizawa, K. & Hoffmann, R., Jan 1 1995, In : The Journal of Chemical Physics. 103, 6, p. 2126-2131 6 p.

Research output: Contribution to journalArticle

Charge density waves
Time varying systems
systems analysis
Electron transitions
Fermi level
25 Citations (Scopus)

Interlayer interactions in two-dimensional systems: Second-order effects causing ABAB stacking of layers in graphite

Yoshizawa, K., Kato, T. & Yamabe, T., Aug 1 1996, In : Journal of Chemical Physics. 105, 5, p. 2099-2105 7 p.

Research output: Contribution to journalArticle

Graphite
interlayers
graphite
Van der Waals forces
interactions
83 Citations (Scopus)

Interplay between Theory and Experiment for Ammonia Synthesis Catalyzed by Transition Metal Complexes

Tanaka, H., Nishibayashi, Y. & Yoshizawa, K., May 17 2016, In : Accounts of Chemical Research. 49, 5, p. 987-995 9 p.

Research output: Contribution to journalArticle

Nitrogen fixation
Coordination Complexes
Ammonia
Transition metals
Molybdenum
17 Citations (Scopus)

Intraprotein transmethylation via a CH3-Co(iii) species in myoglobin reconstituted with a cobalt corrinoid complex

Morita, Y., Oohora, K., Sawada, A., Doitomi, K., Ohbayashi, J., Kamachi, T., Yoshizawa, K., Hisaeda, Y. & Hayashi, T., Jan 1 2016, In : Dalton Transactions. 45, 8, p. 3277-3284 8 p.

Research output: Contribution to journalArticle

Corrinoids
Myoglobin
Cobalt
5-Methyltetrahydrofolate-Homocysteine S-Methyltransferase
Derivatives
201 Citations (Scopus)
Potential energy surfaces
Methane
Methanol
methane
Iron
9 Citations (Scopus)

Inverse isotope effects in the superconductivity of acenes: A theoretical study

Kato, T., Yoshizawa, K. & Yamabe, T., Sep 7 2001, In : Chemical Physics Letters. 345, 1-2, p. 125-131 7 p.

Research output: Contribution to journalArticle

Superconductivity
Isotopes
isotope effect
superconductivity
Deuterium
36 Citations (Scopus)

Inversion of methane on transition-metal complexes: A possible mechanism for inversion of stereochemistry

Yoshizawa, K., Suzuki, A. & Yamabe, T., Jun 9 1999, In : Journal of the American Chemical Society. 121, 22, p. 5266-5273 8 p.

Research output: Contribution to journalArticle

Stereochemistry
Coordination Complexes
Methane
Metal complexes
Transition metals
76 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

Iron complex of a quadruply fused porphyrin: Synthesis, structure and redox properties

Ishizuka, T., Komamura, K., Saegusa, Y., Tanaka, S., Shiota, Y., Yoshizawa, K. & Kojima, T., Jan 1 2019, (Accepted/In press) In : Journal of Porphyrins and Phthalocyanines.

Research output: Contribution to journalArticle

Porphyrins
Iron
Ligands
Oxidation
Electrolysis
1 Citation (Scopus)

Isolation and phototransformation of enantiomerically pure iridium(III) bis[(4,6-difluorophenyl)pyridinato-N,C2]picolinate

Wang, Y., Harada, T., Shiota, Y., Yoshizawa, K., Wang, H., Wang, S., Ye, X., Ogasawara, M. & Nakano, T., Jan 1 2017, In : RSC Advances. 7, 47, p. 29550-29553 4 p.

Research output: Contribution to journalArticle

Iridium
Enantiomers
picolinic acid
6 Citations (Scopus)

Jahn-Teller distortion and possible electron pairing in molecular systems

Yamabe, T., Yoshizawa, K., Matsuura, Y. & Tanaka, K., Nov 1995, In : Synthetic Metals. 75, 1, p. 55-60 6 p.

Research output: Contribution to journalArticle

Jahn-Teller effect
Electron-electron interactions
Electrons
Molecular orbitals
Superconductivity
39 Citations (Scopus)

Jahn-Teller effects in the coronene anions and cations

Kato, T., Yoshizawa, K. & Yamabe, T., Dec 1 1999, In : Journal of Chemical Physics. 110, 1, p. 249-255 7 p.

Research output: Contribution to journalArticle

Jahn-Teller effect
Anions
Cations
Stretching
anions
48 Citations (Scopus)

Kinetic isotope effects in a C-H bond dissociation by the iron-oxo species of cytochrome P450

Yoshizawa, K., Kagawa, Y. & Shiota, Y., Dec 1 2000, In : Journal of Physical Chemistry B. 104, 51, p. 12365-12370 6 p.

Research output: Contribution to journalArticle

cytochromes
Isotopes
isotope effect
Cytochrome P-450 Enzyme System
Iron
10 Citations (Scopus)

Lithium Diffusion in LixCoO2 Electrode Materials

Nuspl, G., Nagaoka, M., Yoshizawa, K., Mohri, F. & Yamabe, T., Jan 1 1998, In : Bulletin of the Chemical Society of Japan. 71, 9, p. 2259-2265 7 p.

Research output: Contribution to journalArticle

Lithium
Electrodes
Ions
Molecular mechanics
Potential energy
132 Citations (Scopus)

Lithium intercalation in TiO2 modifications

Nuspl, G., Yoshizawa, K. & Yamabe, T., Jan 1 1997, In : Journal of Materials Chemistry. 7, 12, p. 2529-2536 8 p.

Research output: Contribution to journalArticle

Intercalation
Lithium
Titanium dioxide
Orbital calculations
Polymorphism
36 Citations (Scopus)

Lithium ion migration pathways in LiTi2(PO4)3 and related materials

Nuspl, G., Takeuchi, T., Weiß, A., Kageyama, H., Yoshizawa, K. & Yamabe, T., Nov 15 1999, In : Journal of Applied Physics. 86, 10, p. 5484-5491 8 p.

Research output: Contribution to journalArticle

lithium
molecular dynamics
ions
solid electrolytes
potential energy

Lithium-richest phase of lithium tetrelides Li17TT4 (TT = Si, Ge, Sn, and Pb) as an electride

Tsuji, Y., Hashimoto, W. & Yoshizawa, K., Jan 1 2019, In : Bulletin of the Chemical Society of Japan. 92, 7, p. 1154-1169 16 p.

Research output: Contribution to journalArticle

Lithium
Carrier concentration
Electrons
Atoms
Stoichiometry

Local structures and electronic properties of In atoms in In-doped ZnO

Hori, Y., Shiota, Y., Ida, T., Yoshizawa, K. & Mizuno, M., Sep 1 2019, In : Thin Solid Films. 685, p. 428-433 6 p.

Research output: Contribution to journalArticle

Zinc Oxide
Indium
Zinc oxide
Electronic properties
zinc oxides