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Research Output 1983 2019

2002
29 Citations (Scopus)

Silicon-carbon unsaturated compounds. 65. Thermal and photochemical isomerization of trimethylsiloxy-and bis(trimethylsilyl)-substituted silacyclobut-3-enes

Naka, A., Ikadai, J., Motoike, S., Yoshizawa, K., Kondo, Y., Kang, S. Y. & Ishikawa, M., May 13 2002, In : Organometallics. 21, 10, p. 2033-2035 3 p.

Research output: Contribution to journalArticle

Unsaturated compounds
carbon compounds
Photolysis
Silicon
Isomerization
45 Citations (Scopus)

Small band-gap polymers involving tricyclic nonclassical thiophene as a building block

Tachibana, M., Tanaka, S., Yamashita, Y. & Yoshizawa, K., Apr 11 2002, In : Journal of Physical Chemistry B. 106, 14, p. 3549-3556 8 p.

Research output: Contribution to journalArticle

Thiophenes
Thiophene
thiophenes
Pyrazines
pyrazines
111 Citations (Scopus)

Sulfur-gold orbital interactions which determine the structure of alkanethiolate/Au(111) self-assembled monolayer systems

Tachibana, M., Yoshizawa, K., Ogawa, A., Fujimoto, H. & Hoffmann, R., Dec 12 2002, In : Journal of Physical Chemistry B. 106, 49, p. 12727-12736 10 p.

Research output: Contribution to journalArticle

Self assembled monolayers
Sulfur
Gold
Adsorption
sulfur
12 Citations (Scopus)

Superconductivity in acenes

Kato, T., Kondo, M., Yoshizawa, K. & Yamabe, T., Jan 28 2002, In : Synthetic Metals. 126, 1, p. 75-80 6 p.

Research output: Contribution to journalArticle

Molecular orbitals
Superconductivity
Stretching
superconductivity
Molecular vibrations
74 Citations (Scopus)
Alkanes
Isotopes
isotope effect
Paraffins
alkanes
33 Citations (Scopus)

Theoretical study on the mechanism of catalysis of coenzyme B 12-dependent diol dehydratase

Eda, M., Kamachi, T., Yoshizawa, K. & Toraya, T., Jul 1 2002, In : Bulletin of the Chemical Society of Japan. 75, 7, p. 1469-1481 13 p.

Research output: Contribution to journalArticle

Propanediol Dehydratase
Catalysis
Ions
Substrates
Hydrogen
2001

A cluster model study of the electron-phonon interaction magnesium diborate

Yoshizawa, K. & Kondo, M., Oct 22 2001, In : Journal of Chemical Physics. 115, 16, p. 7344-7347 4 p.

Research output: Contribution to journalArticle

Electron-phonon interactions
electron phonon interactions
Magnesium
magnesium
Molecular vibrations
50 Citations (Scopus)

A theoretical study of alcohol oxidation by ferrate

Ohta, T., Kamachi, T., Shiota, Y. & Yoshizawa, K., Jun 15 2001, In : Journal of Organic Chemistry. 66, 12, p. 4122-4131 10 p.

Research output: Contribution to journalArticle

Methanol
Alcohols
Oxidation
Formaldehyde
Organometallics
83 Citations (Scopus)

A theoretical study of the dynamic behavior of alkane hydroxylation by a compound I model of cytochrome P450

Yoshizawa, K., Kamachi, T. & Shiota, Y., Oct 10 2001, In : Journal of the American Chemical Society. 123, 40, p. 9806-9816 11 p.

Research output: Contribution to journalArticle

Hydroxylation
Alkanes
Kinetic energy
Paraffins
Cytochrome P-450 Enzyme System
7 Citations (Scopus)

Configurational inversion of the tetrahedral molecules CH4, SiH4, and GeH4

Yoshizawa, K. & Suzuki, A., Sep 1 2001, In : Chemical Physics. 271, 1-2, p. 41-54 14 p.

Research output: Contribution to journalArticle

Silanes
Methane
inversions
Molecules
Electrons
19 Citations (Scopus)

Electronic structures of gold nanowires

Hasegawa, A., Yoshizawa, K. & Hirao, K., Sep 21 2001, In : Chemical Physics Letters. 345, 5-6, p. 367-371 5 p.

Research output: Contribution to journalArticle

Gold
Nanowires
Electronic structure
nanowires
gold
26 Citations (Scopus)

Energetic feasibility of hydrogen abstraction and recombination in coenzyme B12-dependent diol dehydratase reaction

Toraya, T., Eda, M., Kamachi, T. & Yoshizawa, K., Jan 1 2001, In : Journal of Biochemistry. 130, 6, p. 865-872 8 p.

Research output: Contribution to journalArticle

Propanediol Dehydratase
Genetic Recombination
Hydrogen
Substrates
Propylene Glycol
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
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
31 Citations (Scopus)
Hydroxylation
Alkanes
Methane
Paraffins
alkanes
18 Citations (Scopus)

Regioselectivity in 2-methylbutane hydroxylation mediated by FeO+ and FeO2+

Yumura, T. & Yoshizawa, K., Apr 2 2001, In : Organometallics. 20, 7, p. 1397-1407 11 p.

Research output: Contribution to journalArticle

Regioselectivity
Hydroxylation
Atoms
Carbon
Discrete Fourier transforms
22 Citations (Scopus)
atomic energy levels
Anions
Cations
Orbits
anions
19 Citations (Scopus)

Synthesis and stereochemistry of cis- and trans-3,4-benzo-1,2-di(tert- butyl)-1,2-dimethyl-1,2-disilacyclobutene

Ishikawa, M., Ikadai, J., Naka, A., Ohshita, J., Kunai, A., Yoshizawa, K., Kang, S. Y. & Yamabe, T., Mar 19 2001, In : Organometallics. 20, 6, p. 1059-1061 3 p.

Research output: Contribution to journalArticle

Siloxanes
Stereochemistry
stereochemistry
Palladium
Oxygen
2 Citations (Scopus)

Theoretical study on the structure and stability of the clusters of tropylium ion solvated by methanol molecules

Suzuki, A., Kinoshita, T., Takeuchi, K., Wakisaka, A. & Yoshizawa, K., Nov 16 2001, In : Journal of Molecular Structure: THEOCHEM. 574, 1-3, p. 117-125 9 p.

Research output: Contribution to journalArticle

Methanol
Hydrogen
Hydrogen bonds
Theoretical Models
methyl alcohol
6 Citations (Scopus)
Lithium
Metals
Electrodes
Manganese
Atoms
2 Citations (Scopus)

Vibronic interaction in a copper oxide cluster

Kato, T., Kondo, M., Tachibana, M., Yamabe, T. & Yoshizawa, K., Sep 1 2001, In : Chemical Physics. 271, 1-2, p. 31-39 9 p.

Research output: Contribution to journalArticle

Copper oxides
copper oxides
Diamond
Superconducting materials
Copper
4 Citations (Scopus)

Vibronic interactions and Jahn-Teller effects in π-conjugated systems

Kato, T., Yoshizawa, K. & Yamabe, T., Mar 15 2001, In : Synthetic Metals. 119, 1-3, p. 217-218 2 p.

Research output: Contribution to journalArticle

Jahn-Teller effect
Benzene
benzene
interactions
Electronic properties
2000
8 Citations (Scopus)

An ab initio study on the structure and reactivity of 1,4-disilabenzene

Kang, S. Y., Yoshizawa, K., Yamabe, T., Naka, A. & Ishikawa, M., Oct 6 2000, In : Journal of Organometallic Chemistry. 611, 1-2, p. 280-287 8 p.

Research output: Contribution to journalArticle

Conversion Disorder
Acetylene
Cycloaddition Reaction
reactivity
Activation energy
30 Citations (Scopus)

Cavity ring-down spectroscopy and relative rate study of reactions of HCO radicals with O2, NO, NO2, and Cl2 at 295 K

Ninomiya, Y., Goto, M., Hashimoto, S., Kagawa, Y., Yoshizawa, K., Kawasaki, M., Wallington, T. J. & Hurley, M. D., Aug 1 2000, In : Journal of Physical Chemistry A. 104, 32, p. 7556-7564 9 p.

Research output: Contribution to journalArticle

Carbon Monoxide
diluents
Spectroscopy
cavities
rings
48 Citations (Scopus)
methane monooxygenase
Methane
Methanol
Enzymes
Atoms
8 Citations (Scopus)

Crystal orbital overlap population analysis of the capacity fading of metal-substituted spinel lithium manganate LiMn2O4

Hasegawa, A., Yoshizawa, K. & Yamabe, T., Nov 1 2000, In : Journal of the Electrochemical Society. 147, 11, p. 4052-4057 6 p.

Research output: Contribution to journalArticle

Lithium
Metals
Crystals
Manganese
Atoms
119 Citations (Scopus)
Methane
Phenol
Benzene
phenols
Phenols
25 Citations (Scopus)
Hydroxylation
Alkanes
Cytochrome P-450 Enzyme System
Iron
Oxygen
38 Citations (Scopus)

Femtosecond Dynamics of the Methane - Methanol and Benzene - Phenol Conversions by an Iron - Oxo Species

Yoshizawa, K., Shiota, Y., Kagawa, Y. & Yamabe, T., Mar 30 2000, In : Journal of Physical Chemistry A. 104, 12, p. 2552-2561 10 p.

Research output: Contribution to journalArticle

Methane
Phenol
Benzene
phenols
Methanol
59 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
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
199 Citations (Scopus)
Methane
Oxides
Transition metals
Methanol
Metals
46 Citations (Scopus)

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

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

Research output: Contribution to journalArticle

formaldehyde
Formaldehyde
Methanol
Iron
methyl alcohol
13 Citations (Scopus)

Role of vibronic interactions in the electronic properties of a silicon cluster, (SiH)8

Kato, T., Yoshizawa, K. & Yamabe, T., Aug 1 2000, In : Journal of Chemical Physics. 113, 6, p. 2188-2198 11 p.

Research output: Contribution to journalArticle

Molecular orbitals
Silicon
Electronic properties
molecular orbitals
Molecular vibrations
1 Citation (Scopus)
Charge density waves
Graphite
Dimerization
Electron transitions
Fermi level
21 Citations (Scopus)

Synthesis, structure, and catalytic function of a disulfide-bridged dicopper(I) complex

Ohta, T., Tachiyama, T., Yoshizawa, K. & Yamabe, T., Apr 8 2000, In : Tetrahedron Letters. 41, 15, p. 2581-2585 5 p.

Research output: Contribution to journalArticle

Hydroxylation
Epoxidation
Redox reactions
Sulfhydryl Compounds
Oxidants
82 Citations (Scopus)

Synthesis, structure, and H2O2-dependent catalytic functions of disulfide-bridged dicopper(I) and related thioether-copper(I) and thioether-copper(II) complexes

Ohta, T., Tachiyama, T., Yoshizawa, K., Yamabe, T., Uchida, T. & Kitagawa, T., Sep 18 2000, In : Inorganic Chemistry. 39, 19, p. 4358-4369 12 p.

Research output: Contribution to journalArticle

disulfides
Sulfides
Disulfides
Copper
copper
29 Citations (Scopus)

The electronic and vibrational structures of iron-oxo porphyrin with a methoxide or cysteinate axial ligand

Ohta, T., Matsuura, K., Yoshizawa, K. & Morishima, I., Nov 30 2000, In : Journal of Inorganic Biochemistry. 82, 1-4, p. 141-152 12 p.

Research output: Contribution to journalArticle

Porphyrins
Iron
Ligands
Chloride Peroxidase
Stretching
3 Citations (Scopus)

Theoretical study of the ground and excited states of silicon clusters: Si8Hx

Nakajima, K., Yoshizawa, K. & Yamabe, T., Oct 1 2000, In : Journal of Applied Physics. 88, 7, p. 4340-4346 7 p.

Research output: Contribution to journalArticle

ground state
silicon
oscillator strengths
excitation
forbidden transitions
32 Citations (Scopus)

The role of orbital interactions in determining the interlayer spacing in graphite slabs

Yoshizawa, K., Yumura, T., Yamabe, T. & Bandow, S., Dec 6 2000, In : Journal of the American Chemical Society. 122, 48, p. 11871-11875 5 p.

Research output: Contribution to journalArticle

Graphite
Density functional theory
54 Citations (Scopus)
methane monooxygenase
Hydroxylation
Methane
Catalytic Domain
Iron
14 Citations (Scopus)

Two-step concerted mechanism for the hydrocarbon hydroxylation by cytochrome P450

Yoshizawa, K., Ohta, T., Eda, M. & Yamabe, T., Feb 1 2000, In : Bulletin of the Chemical Society of Japan. 73, 2, p. 401-407 7 p.

Research output: Contribution to journalArticle

Hydroxylation
Porphyrins
Hydrocarbons
Cytochrome P-450 Enzyme System
Carbon
15 Citations (Scopus)

Vibronic coupling and jahn-teller effects in negatively charged corannulene

Yamabe, T., Yahara, K., Kato, T. & Yoshizawa, K., Jan 27 2000, In : Journal of Physical Chemistry A. 104, 3, p. 589-595 7 p.

Research output: Contribution to journalArticle

Jahn-Teller effect
Anions
electronics
anions
Superconductivity
3 Citations (Scopus)

Vibronic interactions in {6} and {18}hetero(A,B)annulenes

Tachibana, M. & Yoshizawa, K., Oct 15 2000, In : Chemical Physics. 260, 3, p. 303-315 13 p.

Research output: Contribution to journalArticle

Jahn-Teller effect
Molecular orbitals
vibration mode
molecular orbitals
electronics
1999
23 Citations (Scopus)

Ab initio study on interaction and stability of lithium-doped amorphous carbons

Ago, H., Kato, M., Yahara, K., Yoshizawa, K., Tanaka, K. & Yamabe, T., Apr 1 1999, In : Journal of the Electrochemical Society. 146, 4, p. 1262-1269 8 p.

Research output: Contribution to journalArticle

Amorphous carbon
Molecular orbitals
Lithium
Carbon
lithium
7 Citations (Scopus)

A second-order effect causing the layer structure of arsenic

Yoshizawa, K., Yumura, T. & Yamabe, T., Jun 15 1999, In : Journal of Chemical Physics. 110, 23, p. 11534-11541 8 p.

Research output: Contribution to journalArticle

Arsenic
arsenic
Fermi level
Germanium
Jahn-Teller effect
39 Citations (Scopus)

Direct participation of potassium ion in the catalysis of Coenzyme B12-dependent diol dehydratase

Toraya, T., Yoshizawa, K., Eda, M. & Yamabe, T., 1999, In : Journal of Biochemistry. 126, 4, p. 650-654 5 p.

Research output: Contribution to journalArticle

Propanediol Dehydratase
Catalysis
Hydroxyl Radical
Potassium
Ions
201 Citations (Scopus)
Potential energy surfaces
Methane
Methanol
methane
Iron
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
1 Citation (Scopus)

Jahn-Teller effect and possible superconductivity in [18]annulene

Kato, T., Yoshizawa, K. & Yamabe, T., Jan 1 1999, In : Synthetic Metals. 101, 1, p. 583-584 2 p.

Research output: Contribution to journalConference article

Jahn-Teller effect
Superconductivity
superconductivity
methylidyne
Crystals