If you made any changes in Pure these will be visible here soon.

Research Output 1983 2019

Article
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
83 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
1 Citation (Scopus)

Synthesis and Catalytic Reactivity of Bis(molybdenum-trihalide) Complexes Bridged by Ferrocene Skeleton toward Catalytic Nitrogen Fixation

Itabashi, T., Arashiba, K., Tanaka, H., Konomi, A., Eizawa, A., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jul 22 2019, In : Organometallics. 38, 14, p. 2863-2872 10 p.

Research output: Contribution to journalArticle

Nitrogen fixation
nitrogenation
Molybdenum
musculoskeletal system
molybdenum
20 Citations (Scopus)

Synthesis and characterization of novel ferrocene-containing pyridylamine ligands and their ruthenium(II) complexes: Electronic communication through hydrogen-bonded amide linkage

Kojima, T., Noguchi, D., Nakayama, T., Inagaki, Y., Shiota, Y., Yoshizawa, K., Ohkubo, K. & Fukuzumi, S., Feb 4 2008, In : Inorganic chemistry. 47, 3, p. 886-895 10 p.

Research output: Contribution to journalArticle

Ruthenium
Amides
linkages
amides
ruthenium
11 Citations (Scopus)

Synthesis and characterization of ruthenium(II)-nitrile complexes with bisamide-tpa ligands (tpa = tris(2-pyridylmethyl)amine)

Kojima, T., Hayashi, K. I., Shiota, Y., Tachi, Y., Naruta, Y., Suzuki, T., Uezu, K. & Yoshizawa, K., Dec 1 2005, In : Bulletin of the Chemical Society of Japan. 78, 12, p. 2152-2158 7 p.

Research output: Contribution to journalArticle

Nitriles
Ruthenium
Ligands
Charge distribution
Chemical shift
10 Citations (Scopus)

Synthesis and characterization of ruthenium(II)-pyridylamine complexes with catechol pendants as metal binding sites

Kojima, T., Hirasa, N., Noguchi, D., Ishizuka, T., Miyazaki, S., Shiota, Y., Yoshizawa, K. & Fukuzumi, S., Apr 19 2010, In : Inorganic chemistry. 49, 8, p. 3737-3745 9 p.

Research output: Contribution to journalArticle

Ruthenium
ruthenium
Metals
Binding Sites
synthesis
14 Citations (Scopus)

Synthesis and ESR measurements of polymeric product of m-chloroaniline as an approach to magnetic polymers

Tanaka, K., Yoshizawa, K., Takata, A., Yamabe, T. & Yamauchi, J., Jun 7 1991, In : Synthetic Metals. 43, 1-2, p. 3297-3300 4 p.

Research output: Contribution to journalArticle

Paramagnetic resonance
Polymers
polymers
synthesis
products
23 Citations (Scopus)

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

Naka, A., Yoshizawa, K., Kang, S., Yamabe, T. & Ishikawa, M., Dec 21 1998, In : Organometallics. 17, 26, p. 5830-5835 6 p.

Research output: Contribution to journalArticle

Acetylene
Palladium
Platinum
adducts
palladium
2 Citations (Scopus)

Synthesis and reactivity of titanium- and zirconium-dinitrogen complexes bearing anionic pyrrole-based PNP-type pincer ligands

Sekiguchi, Y., Meng, F., Tanaka, H., Eizawa, A., Arashiba, K., Nakajima, K., Yoshizawa, K. & Nishibayashi, Y., Jan 1 2018, In : Dalton Transactions. 47, 33, p. 11322-11326 5 p.

Research output: Contribution to journalArticle

hydrazine
Bearings (structural)
Pyrroles
X ray analysis
Titanium
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)

Synthesis and structure of a water-soluble μ-η1: η1-N2 dinuclear RuII complex with a polyamine ligand

Yoshimoto, K., Yatabe, T., Matsumoto, T., Robertson, A., Nakai, H., Tanaka, H., Kamachi, T., Shiota, Y., Yoshizawa, K., Asazawa, K., Tanaka, H. & Ogo, S., Jan 1 2016, In : Chemistry Letters. 45, 2, p. 149-151 3 p.

Research output: Contribution to journalArticle

X ray analysis
Polyamines
Stretching
Raman spectroscopy
Chemical activation
13 Citations (Scopus)

Synthesis of polyaniline by use of the Ullmann reaction

Yoshizawa, K., Ito, A., Tanaka, K. & Yamabe, T., Jul 15 1992, In : Synthetic Metals. 48, 3, p. 271-282 12 p.

Research output: Contribution to journalArticle

Aniline
Polyaniline
aniline
musculoskeletal system
Polymers

Temperature dependence of spherical electron transfer in a nanosized [Fe14] complex

Huang, W., Wu, S., Gu, X., Li, Y., Okazawa, A., Kojima, N., Hayami, S., Baker, M. L., Bencok, P., Noguchi, M., Miyazaki, Y., Nakano, M., Nakanishi, T., Kanegawa, S., Inagaki, Y., Kawae, T., Zhuang, G. L., Shiota, Y., Yoshizawa, K., Wu, D. & 1 others, Sato, O., Dec 1 2019, In : Nature communications. 10, 1, 5510.

Research output: Contribution to journalArticle

Open Access
electron transfer
Electrons
temperature dependence
Temperature
Dimethyl Sulfoxide

Tetranuclear ruthenium(II) complex with a dinucleating ligand forming multi-mixed-valence states

Ohzu, S., Ishizuka, T., Kotani, H., Shiota, Y., Yoshizawa, K. & Kojima, T., Dec 15 2014, In : Inorganic chemistry. 53, 24, p. 12677-12679 3 p.

Research output: Contribution to journalArticle

Ruthenium
ruthenium
Ligands
valence
Oxidation
8 Citations (Scopus)

The B(1u) and B(2u) vibrational modes causing a D(6h) to D(3h) transition in benzene and in [18]- and [30]annulenes

Yoshizawa, K., Tachibana, M. & Yamabe, T., Apr 1999, In : Bulletin of the Chemical Society of Japan. 72, 4, p. 697-700 4 p.

Research output: Contribution to journalArticle

Benzene
Carbon
Polyenes
23 Citations (Scopus)

The catalytic mechanism of fluoroacetate dehalogenase: a computational exploration of biological dehalogenation

Kamachi, T., Nakayama, T., Shitamichi, O., Jitsumori, K., Kurihara, T., Esaki, N. & Yoshizawa, K., Jul 27 2009, In : Chemistry - A European Journal. 15, 30, p. 7394-7403 10 p.

Research output: Contribution to journalArticle

haloacetate dehalogenase
Dehalogenation
Fluoroacetates
haloalkane dehalogenase
Molecules
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
24 Citations (Scopus)

Theoretical analysis of the diradical nature of adenosylcobalamin cofactor-tyrosine complex in B12-dependent mutases: Inspiring PCET-driven enzymatic catalysis

Kozlowski, P. M., Kamachi, T., Kumar, M., Nakayama, T. & Yoshizawa, K., May 6 2010, In : Journal of Physical Chemistry B. 114, 17, p. 5928-5939 12 p.

Research output: Contribution to journalArticle

Intramolecular Transferases
methylaspartate mutase
tyrosine
Methylmalonyl-CoA Mutase
Catalysis
7 Citations (Scopus)

Theoretical analysis of the reaction mechanism of biotin carboxylase

Ito, Y., Kondo, H., Shiota, Y. & Yoshizawa, K., Feb 1 2008, In : Journal of Chemical Theory and Computation. 4, 2, p. 366-374 9 p.

Research output: Contribution to journalArticle

biotin carboxylase
biotin
Biotin
Carbon Monoxide
Bicarbonates
11 Citations (Scopus)

Theoretical Investigation of Methane Hydroxylation over Isoelectronic [FeO]2+- and [MnO]+-Exchanged Zeolites Activated by N2O

Mahyuddin, M. H., Shiota, Y., Staykov, A. & Yoshizawa, K., Sep 5 2017, In : Inorganic chemistry. 56, 17, p. 10370-10380 11 p.

Research output: Contribution to journalArticle

Zeolites
Hydroxylation
Methane
zeolites
methane
28 Citations (Scopus)

Theoretical Measurements of Conductance in an (AT)12 DNA Molecule

Tada, T., Kondo, M. & Yoshizawa, K., Nov 14 2003, In : ChemPhysChem. 4, 11, p. 1256-1260 5 p.

Research output: Contribution to journalArticle

deoxyribonucleic acid
Molecules
DNA
molecules
nucleic acids
44 Citations (Scopus)
synthesis
dissociation
Hydrogenation
hydrogenation
Atoms
36 Citations (Scopus)

Theoretical study of a neutral, doubly protonated, and doubly deprotonated porphyrin dithiolate used as a molecular switch

Girard, Y., Kondo, M. & Yoshizawa, K., Aug 21 2006, In : Chemical Physics. 327, 1, p. 77-84 8 p.

Research output: Contribution to journalArticle

Porphyrins
porphyrins
switches
Switches
Deprotonation
114 Citations (Scopus)

Theoretical study of donor-π-bridge-acceptor unimolecular electric rectifier

Staykov, A., Nozaki, D. & Yoshizawa, K., Aug 9 2007, In : Journal of Physical Chemistry C. 111, 31, p. 11698-11705 8 p.

Research output: Contribution to journalArticle

Electric rectifiers
rectifiers
Nanowires
nanowires
Molecular orbitals
25 Citations (Scopus)

Theoretical study of lithium-doped polycyclic aromatic hydrocarbons

Ago, H., Nagata, K., Yoshizawa, K., Tanaka, K. & Yamabe, T., Aug 29 1997, In : Bulletin of the Chemical Society of Japan. 70, 7, p. 1717-1726 10 p.

Research output: Contribution to journalArticle

Polycyclic Aromatic Hydrocarbons
Lithium
Carbon
Atoms
Amorphous carbon
43 Citations (Scopus)

Theoretical study of long-range electron transport in molecular junctions

Nozaki, D., Girard, Y. & Yoshizawa, K., Nov 6 2008, In : Journal of Physical Chemistry C. 112, 44, p. 17408-17415 8 p.

Research output: Contribution to journalArticle

Incoherent scattering
Quantum chemistry
Electron transitions
Green's function
electrons
9 Citations (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., Jul 4 2011, In : Inorganic Chemistry. 50, 13, p. 6200-6209 10 p.

Research output: Contribution to journalArticle

Anhydrides
anhydrides
cyclohexane
Hydrogen
amines
11 Citations (Scopus)
Alkenes
Catalysis
Hydrogenation
Iron
Chemical activation
70 Citations (Scopus)
Hydrogenation
hydrogenation
selectivity
dissociation
Decomposition
83 Citations (Scopus)

Theoretical study of the direct synthesis of H2O2 on Pd and Pd/Au surfaces

Staykov, A. T., Kamachi, T., Ishihara, T. & Yoshizawa, K., Dec 11 2008, In : Journal of Physical Chemistry C. 112, 49, p. 19501-19505 5 p.

Research output: Contribution to journalArticle

synthesis
dissociation
Oxygen
Atoms
hydrogen peroxide
3 Citations (Scopus)

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

Nakajima, K., Yoshizawa, K. & Yamabe, T., Oct 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
41 Citations (Scopus)

Theoretical study of the mechanism of valence tautomerism in cobalt complexes

Sato, D., Shiota, Y., Juhász, G. & Yoshizawa, K., Dec 16 2010, In : Journal of Physical Chemistry A. 114, 49, p. 12928-12935 8 p.

Research output: Contribution to journalArticle

Cobalt
Potential energy surfaces
cobalt
valence
Energy gap
13 Citations (Scopus)

Theoretical study of thermal isomerization of silacyclobutene to cyclopropene

Shiota, Y., Yasunaga, M., Naka, A., Ishikawa, M. & Yoshizawa, K., Sep 27 2004, In : Organometallics. 23, 20, p. 4744-4749 6 p.

Research output: Contribution to journalArticle

Isomerization
isomerization
shift
tert-Butyl Alcohol
cyclopropane
29 Citations (Scopus)
crossovers
Total quality management
Potential energy surfaces
atomic energy levels
total quality management
10 Citations (Scopus)

Theoretical study on activation and protonation of dinitrogen on Cubane-Type MIr3S4 Clusters (M = V, Cr, Mn, Fe, Co, Ni, Cu, Mo, Ru, and W)

Tanaka, H., Ohsako, F., Seino, H., Mizobe, Y. & Yoshizawa, K., Mar 1 2010, In : Inorganic Chemistry. 49, 5, p. 2464-2470 7 p.

Research output: Contribution to journalArticle

cubane
Protonation
Chemical activation
activation
Density functional theory
9 Citations (Scopus)

Theoretical study on ferromagnetic interaction in stacked diphenylcarbene polymer

Tanaka, K., Takeuchi, T., Yoshizawa, K., Toriumi, M. & Yamabe, T., Jan 1 1991, In : Synthetic Metals. 44, 1, p. 1-8 8 p.

Research output: Contribution to journalArticle

Polymers
polymers
pitch (inclination)
interactions
Electronic structure
75 Citations (Scopus)
Alkanes
Isotopes
isotope effect
Paraffins
alkanes
6 Citations (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., May 17 2011, In : Organometallics. 30, 11, p. 3160-3167 8 p.

Research output: Contribution to journalArticle

Acetylene
acetylene
Cycloaddition
cycloaddition
Silanes
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
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
10 Citations (Scopus)

Thermal Addition of Disilacyclobutenes and Acetylene: A Theoretical Study on Diels-Alder Type Reactions

Yoshizawa, K., Kang, S. Y., Yamabe, T., Naka, A. & Ishikawa, M., Oct 25 1999, In : Organometallics. 18, 22, p. 4637-4645 9 p.

Research output: Contribution to journalArticle

Acetylene
acetylene
rings
butadiene
Addition reactions

Thermal behavior of benzobis(tetraethyldisilacyclobutene)

Naka, A., Yoshizawa, K. & Ishikawa, M., Mar 2016, In : Zeitschrift fur Naturforschung - Section B Journal of Chemical Sciences. 71, 3, p. 227-230 4 p.

Research output: Contribution to journalArticle

Molecules
Silicon
Thermolysis
Autoclaves
Isomers
13 Citations (Scopus)

Thermally Induced Intra-Carboxyl Proton Shuttle in a Molecular Rack-and-Pinion Cascade Achieving Macroscopic Crystal Deformation

Huang, Y. G., Shiota, Y., Su, S. Q., Wu, S. Q., Yao, Z. S., Li, G. L., Kanegawa, S., Kang, S., Kamachi, T., Yoshizawa, K., Ariga, K. & Sato, O., Jan 1 2016, In : Angewandte Chemie - International Edition. 55, 47, p. 14628-14632 5 p.

Research output: Contribution to journalArticle

Protons
Crystals
Molecules
Single crystals
Phase transitions

Thermochemistry and Kinetics of the Thermal Degradation of 2-Methoxyethanol as Possible Biofuel Additives

Abdel-Rahman, M. A., Al-Hashimi, N., Shibl, M. F., Yoshizawa, K. & El-Nahas, A. M., Dec 1 2019, In : Scientific reports. 9, 1, 4535.

Research output: Contribution to journalArticle

Open Access
Biofuels
Hot Temperature
Alcohols
Renewable Energy
Temperature
6 Citations (Scopus)

Thermodynamics and Photodynamics of a Monoprotonated Porphyrin Directly Stabilized by Hydrogen Bonding with Polar Protic Solvents

Suzuki, W., Kotani, H., Ishizuka, T., Ohkubo, K., Shiota, Y., Yoshizawa, K., Fukuzumi, S. & Kojima, T., Jan 1 2017, In : Chemistry - A European Journal. 23, 19, p. 4669-4679 11 p.

Research output: Contribution to journalArticle

Porphyrins
Hydrogen bonds
Thermodynamics
Electrons
Acetone
6 Citations (Scopus)

The role of coulomb interactions for spin crossover behaviors and crystal structural transformation in novel anionic fe(III) complexes from a π-extended ono ligand

Murata, S., Takahashi, K., Sakurai, T., Ohta, H., Yamamoto, T., Einaga, Y., Shiota, Y. & Yoshizawa, K., May 1 2016, In : Crystals. 6, 5, 49.

Research output: Contribution to journalArticle

Coulomb interactions
Anions
crossovers
Negative ions
Ligands
40 Citations (Scopus)

The role of fullerene hemispheres in determining structural features of finite-length carbon nanotubes

Yumura, T., Bandow, S., Yoshizawa, K. & Iijima, S., Aug 5 2004, In : Journal of Physical Chemistry B. 108, 31, p. 11426-11434 9 p.

Research output: Contribution to journalArticle

Fullerenes
Nanotubes
Carbon Nanotubes
hemispheres
fullerenes
94 Citations (Scopus)

The Role of Orbital Interactions in Determining Ferromagnetic Coupling in Organic Molecular Assemblies

Yoshizawa, K. & Hoffmann, R., Jan 1 1995, In : Journal of the American Chemical Society. 117, 26, p. 6921-6926 6 p.

Research output: Contribution to journalArticle

Space Simulation
Molecular orbitals
Electrons
Electron correlations
Spin polarization
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
17 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