Kazunari Yoshizawa

发表

Low-Mode Conformational Search Method with Semiempirical Quantum Mechanical Calculations: Application to Enantioselective Organocatalysis

Takashi Kamachi, Kazunari Yoshizawa, K. Yoshizawa, 2016, J. Chem. Inf. Model..

Molecular understanding of the adhesive interactions between silica surface and epoxy resin: Effects of interfacial water

Kazunari Yoshizawa, Chisa Higuchi, Hiromasa Tanaka, 2018, J. Comput. Chem..

[Cooperation between enzyme science and theoretical chemistry for a new paradigm in enzyme research].

Takashi Kamachi, Kazunari Yoshizawa, Tetsuo Toraya, 2008, Seikagaku. The Journal of Japanese Biochemical Society.

Optimization of Work Function via Bayesian Machine Learning Combined with First-Principles Calculation

Kazunari Yoshizawa, Yuta Tsuji, Wataru Hashimoto, 2020 .

Computational Prediction for Singlet- and Triplet-Transition Energies of Charge-Transfer Compounds.

Kazunari Yoshizawa, Chihaya Adachi, Qisheng Zhang, 2013, Journal of chemical theory and computation.

Metal-ligand cooperation in H2 production and H2O decomposition on a Ru(II) PNN complex: the role of ligand dearomatization-aromatization.

Kazunari Yoshizawa, Jun Li, Yoshihito Shiota, 2009, Journal of the American Chemical Society.

Molecular Orbital Interactions in the Nanostar Dendrimer

Kazunari Yoshizawa, Masakazu Kondo, Tomofumi Tada, 2003 .

Crystal Structures and Coordination Behavior of Aqua- and Cyano-Co(III) Tetradehydrocorrins in the Heme Pocket of Myoglobin.

Takashi Kamachi, Kazunari Yoshizawa, Tsuyoshi Inoue, 2016, Inorganic chemistry.

A theoretical study on the mechanism of camphor hydroxylation by compound I of cytochrome p450.

Takashi Kamachi, Kazunari Yoshizawa, K. Yoshizawa, 2003, Journal of the American Chemical Society.

Molecular Rectifier Based on π–π Stacked Charge Transfer Complex

Kazunari Yoshizawa, Yuta Tsuji, K. Yoshizawa, 2012 .

Macroscopic Polarization Change via Electron Transfer in a Valence Tautomeric Cobalt Complex

Kazunari Yoshizawa, Michael L. Baker, Akira Sakamoto, 2020, Nature Communications.

End-cap effects on vibrational structures of finite-length carbon nanotubes.

Takashi Yumura, Kazunari Yoshizawa, Sumio Iijima, 2005, Journal of the American Chemical Society.

Superior thermoelasticity and shape-memory nanopores in a porous supramolecular organic framework

Takashi Kamachi, Kazunari Yoshizawa, Katsuhiko Ariga, 2016, Nature Communications.

DFT study on chemical N2 fixation by using a cubane-type RuIr3S4 cluster: energy profile for binding and reduction of N2 to ammonia via Ru-N-NHx (x = 1-3) intermediates with unique structures.

Kazunari Yoshizawa, Hiromasa Tanaka, Masanobu Hidai, 2008, Journal of the American Chemical Society.

Methane−Methanol Conversion by MnO+, FeO+, and CoO+: A Theoretical Study of Catalytic Selectivity

Kazunari Yoshizawa, K. Yoshizawa, T. Yamabe, 1998 .

Quantum-size effects in capped and uncapped carbon nanotubes

Takashi Yumura, Kazunari Yoshizawa, Kaori Hirahara, 2006 .

Kinetic Isotope Effects in a C−H Bond Dissociation by the Iron-Oxo Species of Cytochrome P450

Kazunari Yoshizawa, Yoshihito Shiota, and Yoshihisa Kagawa, 2000 .

Electrical conductivity measurements of the plasma-polymerized 1-benzothiophene thin film

Kazunari Yoshizawa, Satoru Nishio, Tomonari Takeuchi, 1992 .

Nonradical mechanism for methane hydroxylation by iron-oxo complexes.

Kazunari Yoshizawa, K. Yoshizawa, 2006, Accounts of chemical research.

Conversion of methane to methanol at the mononuclear and dinuclear copper sites of particulate methane monooxygenase (pMMO): a DFT and QM/MM study.

Kazunari Yoshizawa, Yoshihito Shiota, K. Yoshizawa, 2006, Journal of the American Chemical Society.

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

Kazunari Yoshizawa, Gerhard Nuspl, Tomonari Takeuchi, 1999 .

Methane-to-Methanol Conversion by First-Row Transition-Metal Oxide Ions: ScO+, TiO+, VO+, CrO+, MnO+, FeO+, CoO+, NiO+, and CuO+

Kazunari Yoshizawa, K. Yoshizawa, Yoshihito Shiota and, 2000 .

Two-step concerted mechanism for alkane hydroxylation on the ferryl active site of methane monooxygenase

Kazunari Yoshizawa, K. Yoshizawa, 1998, JBIC Journal of Biological Inorganic Chemistry.

Dioxygen Cleavage and Methane Activation on Diiron Enzyme Models: A Theoretical Study

Kazunari Yoshizawa, Roald Hoffmann, Takehiro Ohta, 1997 .

Substrate specificity of fluoroacetate dehalogenase: an insight from crystallographic analysis, fluorescence spectroscopy, and theoretical computations.

Takashi Kamachi, Kazunari Yoshizawa, Tatsuo Kurihara, 2012, Chemistry.

A QSAR study on the inhibition mechanism of matrix metalloproteinase-12 by arylsulfone analogs based on molecular orbital calculations.

Kazunari Yoshizawa, Hiroshi Chuman, Seiji Hitaoka, 2015, Organic & biomolecular chemistry.

Theoretical Study of Donor−π-Bridge−Acceptor Unimolecular Electric Rectifier

Kazunari Yoshizawa, K. Yoshizawa, Aleksandar Staykov, 2007 .