Okumura, Mitsutaka : rechercher sur Z-Library

Takashi Kawakami, Takeshi Taniguchi, Yasutaka Kitagawa, Takuya Matsumoto, Yohsuke Kamada, Toyonari Sugimoto, Mitsutaka Okumura, Kizashi Yamaguchi

Année:

2008

Langue:

english

Fichier:

PDF, 389 KB

english, 2008

Theoretical studies on magnetic interaction in one-dimensional spin chains of hydrogen atoms (Hn) and copper bromide (CunBrm)

Journal:

Année:

2004

Langue:

english

Fichier:

PDF, 502 KB

english, 2004

Search for the ground states of Ising spin clusters by using the genetic algorithms

Akifumi Oda, Hidemi Nagao, Yasutaka Kitagawa, Yasuteru Shigeta, Mitsuo Shoji, Hiroya Nitta, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 150 KB

english, 2005

Theory of chemical bonds in metalloenzymes. XVII. Symmetry breaking in manganese cluster structures and chameleonic mechanisms for the OO bond formation of water splitting reaction

Toru Saito, Mitsuo Shoji, Keita Kanda, Hiroshi Isobe, Shusuke Yamanaka, Yasutaka Kitagawa, Satoru Yamada, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Yamanaka, Shusuke, Mitsuta, Yuki, Okumura, Mitsutaka, Yamaguchi, Kizashi, Nakamura, Haruki

Année:

2012

Langue:

english

Fichier:

PDF, 1.16 MB

english, 2012

Modification of MOF catalysts by manipulation of counter-ions: experimental and theoretical studies of photochemical hydrogen production from water over microporous diruthenium (II, III) coordination polymers

Kataoka, Yusuke, Miyazaki, Yuhei, Sato, Konomi, Saito, Toru, Nakanishi, Yasuyuki, Kiatagwa, Yasutaka, Kawakami, Takashi, Okumura, Mitsutaka, Yamaguchi, Kizashi, Mori, Wasuke

Journal:

Supramolecular Chemistry

Année:

2011

Langue:

english

Fichier:

PDF, 501 KB

english, 2011

π-Conjugated Trinuclear Group-9 Metalladithiolenes with a Triphenylene Backbone

Sakamoto, Ryota, Kambe, Tetsuya, Tsukada, Satoru, Takada, Kenji, Hoshiko, Ken, Kitagawa, Yasutaka, Okumura, Mitsutaka, Nishihara, Hiroshi

Journal:

Inorganic Chemistry

Année:

2013

Langue:

english

Fichier:

PDF, 1.67 MB

english, 2013

Linear response function of the Mayer bond order: an indicator to describe intrinsic chemical reactivity of molecules

Journal:

Molecular Physics

Année:

2015

Langue:

english

Fichier:

PDF, 436 KB

english, 2015

DFT calculations for Au adsorption onto a reduced TiO 2 (110) surface with the coexistence of Cl

Tada, Kohei, Sakata, Kohei, Yamada, Satoru, Okazaki, Kazuyuki, Kitagawa, Yasutaka, Kawakami, Takashi, Yamanaka, Shusuke, Okumura, Mitsutaka

Journal:

Molecular Physics

Année:

2014

Langue:

english

Fichier:

PDF, 926 KB

english, 2014

DFT calculations for aerobic oxidation of alcohols over neutral Au 6 cluster

Sakata, Kohei, Tada, Kohei, Yamada, Satoru, Kitagawa, Yasutaka, Kawakami, Takashi, Yamanaka, Shusuke, Okumura, Mitsutaka

Journal:

Molecular Physics

Année:

2014

Langue:

english

Fichier:

PDF, 612 KB

english, 2014

Accurate Standard Hydrogen Electrode Potential and Applications to the Redox Potentials of Vitamin C and NAD/NADH

Matsui, Toru, Kitagawa, Yasutaka, Okumura, Mitsutaka, Shigeta, Yasuteru

Journal:

Journal of Physical Chemistry A

Année:

2015

Langue:

english

Fichier:

PDF, 1.35 MB

english, 2015

Calculation of Magnetization by Path Integral Method I

Nagao, Hidemi, Kawabe, Hiroyuki, Kawakami, Takashi, Okumura, Mitsutaka, Mori, Wasuke, Nishikawa, Kiyoshi, Yamaguchi, Kizashi

Journal:

Molecular Crystals and Liquid Crystals Science and Technology Section A Molecular Crystals and Liquid Crystals

Année:

1996

Langue:

english

Fichier:

PDF, 316 KB

english, 1996

DFT Study of Active Oxygen at the Perimeter of Au/TiO 2 Catalysts

Koga, Hiroaki, Tada, Kohei, Okumura, Mitsutaka

Journal:

The Journal of Physical Chemistry C

Année:

2015

Langue:

english

Fichier:

PDF, 12.44 MB

english, 2015

Effect of ceria and zirconia supports on NO reduction over platinum-group metal catalysts: A DFT study with comparative experiments

Koga, Hiroaki, Hayashi, Akihide, Ato, Yoshinori, Tada, Kohei, Hosokawa, Saburo, Tanaka, Tsunehiro, Okumura, Mitsutaka

Journal:

Catalysis Today

Année:

2018

Langue:

english

Fichier:

PDF, 2.21 MB

english, 2018

Vital Role of Moisture in the Catalytic Activity of Supported Gold Nanoparticles

Masakazu Daté, Mitsutaka Okumura, Susumu Tsubota, Masatake Haruta

Journal:

Angewandte Chemie

Année:

2004

Langue:

english

Fichier:

PDF, 149 KB

english, 2004

Vital Role of Moisture in the Catalytic Activity of Supported Gold Nanoparticles

Masakazu Daté, Mitsutaka Okumura, Susumu Tsubota, Masatake Haruta

Journal:

Angewandte Chemie International Edition

Année:

2004

Langue:

english

Fichier:

PDF, 149 KB

english, 2004

Hydrogen Dissociation by Gold Clusters

Tadahiro Fujitani, Isao Nakamura, Tomoki Akita, Mitsutaka Okumura, Masatake Haruta

Journal:

Angewandte Chemie International Edition

Année:

2009

Langue:

english

Fichier:

PDF, 352 KB

english, 2009

N,N′-Dialkyldiamide-type phosphate protecting groups for Fmoc synthesis of phosphotyrosine-containing peptides

Masaaki Ueki, Jun Tachibana, Yusuke Ishii, Jin Okumura, Mitsutaka Goto

Journal:

Tetrahedron Letters

Année:

1996

Langue:

english

Fichier:

PDF, 255 KB

english, 1996

The interaction of neutral and charged Au clusters with O2, CO and H2

Mitsutaka Okumura, Yasutaka Kitagawa, Masatake Haruta, Kizashi Yamaguchi

Journal:

Mitsuo Shoji, Kenichi Koizumi, Tomohiro Hamamoto, Yasutaka Kitagawa, Shusuke Yamanaka, Mitsutaka Okumura, Kizashi Yamaguchi

Année:

2005

Langue:

english

Fichier:

PDF, 228 KB

english, 2005

Hybrid-density functional study of magnetism and ligand control in Ni9 complexes

Journal:

Année:

2006

Langue:

english

Fichier:

PDF, 627 KB

english, 2006

Approximately spin-projected geometry optimization method and its application to di-chromium systems

Yasutaka Kitagawa, Toru Saito, Masahide Ito, Mitsuo Shoji, Kenichi Koizumi, Shusuke Yamanaka, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Toru Saito, Natsumi Yasuda, Satomichi Nishihara, Shusuke Yamanaka, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Année:

2007

Langue:

english

Fichier:

PDF, 495 KB

english, 2007

Broken-symmetry natural orbital (BSNO)–Mk-MRCC study on the exchange coupling in the binuclear copper(II) compounds

Journal:

Okumura Mitsutaka, Kitagawa Yasutaka, Taniguchi Takeshi, Yamaguchi Kizashi

Année:

2011

Langue:

english

Fichier:

PDF, 393 KB

english, 2011

Theoretical studies of magnetic interaction in organic π-radical and gold cluster hybrid systems

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 302 KB

english, 2005

Theoretical study on the magnetic interactions of active site in hemerythrin

Mitsuo Shoji, Tomohiro Hamamoto, Kenichi Koizumi, Hiroshi Isobe, Yasutaka Kitagawa, Yu Takano, Shusuke Yamanaka, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 229 KB

english, 2005

A theoretical study of zero-field splitting of organic biradicals

Mitsuo Shoji, Kenichi Koizumi, Tomohiro Hamamoto, Takeshi Taniguchi, Ryo Takeda, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura, Shusuke Yamanaka, Kizashi Yamaguchi

Journal:

Yasutaka Kitagawa, Mitsuo Shoji, Kenichi Koizumi, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Année:

2005

Langue:

english

Fichier:

PDF, 338 KB

english, 2005

Theoretical studies on magnetic interactions and charge-dope effects in one-dimensional Ni5 and Ni7 complexes

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 695 KB

english, 2005

Theoretical studies on dissociation of metal–carbon bond in Cobalamin: Formulation and calculation

Yusuke Nishiyama, Mitsuo Shoji, Kenichi Koizumi, Yusuke Maruno, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 335 KB

english, 2005

Theoretical studies on magnetic interactions between Ni(II) ions in urease

Yusuke Maruno, Mitsuo Shoji, Kenichi Koizumi, Yusuke Nishiyama, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Takashi Kawakami, Takeshi Taniguchi, Mitsuo Shoji, Yasutaka Kitagawa, Mitsutaka Okumura, Kizashi Yamaguchi

Année:

2005

Langue:

english

Fichier:

PDF, 199 KB

english, 2005

Theoretical direct evaluation of inter-dimer J values in BETS salts

Journal:

Mitsutaka Okumura, Yasutaka Kitagawa, Takashi Kawakami, Kizashi Yamaguchi

Année:

2005

Langue:

english

Fichier:

PDF, 453 KB

english, 2005

Theoretical studies of magnetic interaction of organic π-radicals on gold cluster surface

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 343 KB

english, 2007

Theoretical studies on ferromagnetic behavior of [Cr(C5(CH3)5)2]+[TCNE]− and [Mn(C5(CH3)5)2]+[TCNQ]−

Kenichi Koizumi, Mitsuo Shoji, Yasutaka Kitagawa, Ryo Takeda, Shusuke Yamanaka, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Mao Takenaka, Youhei Nishimura, Takashi Kawakami, Yasutaka Kitagawa, Mitsutaka Okumura, Kizashi Yamaguchi

Année:

2007

Langue:

english

Fichier:

PDF, 975 KB

english, 2007

Theoretical studies of d–d magnetic interaction in organic superconductors

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 676 KB

english, 2007

A GSO–HDFT study of noncollinear spin structures of [2Fe–2S] cluster

Mitsuo Shoji, Kenichi Koizumi, Ryo Takeda, Yasutaka Kitagawa, Shusuke Yamanaka, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Année:

2007

Langue:

english

Fichier:

PDF, 576 KB

english, 2007

Theoretical studies of radical spin arrangements in the cavity of nano-porous complexes

Takashi Kawakami, Satoshi Takamizawa, Mao Takenaka, Yohei Nishimura, Yasutaka Kitagawa, Mitsutaka Okumura, Wasuke Mori, Kizashi Yamaguchi

Journal:

Mitsutaka Okumura, Yasutaka Kitagawa, Takashi Kawakami, Kizashi Yamaguchi

Année:

2007

Langue:

english

Fichier:

PDF, 970 KB

english, 2007

Theoretical calculations of the pressure effect for the β-phase of p-NPNN

Journal:

Mitsutaka Okumura, Yohei Nishimura, Yasutaka Kitagawa, Takashi Kawakami, Kizashi Yamaguchi

Année:

2009

Langue:

english

Fichier:

PDF, 356 KB

english, 2009

Theoretical calculations of magnetic properties of the α-, β-, γ- and δ-phases of p-NPNN

Journal:

Année:

2009

Langue:

english

Fichier:

PDF, 754 KB

english, 2009

Theory of chemical bonds in metalloenzymes XII: Electronic and spin structures of metallo–oxo and isoelectronic species and spin crossover phenomena in oxygenation reactions

Kizashi Yamaguchi, Mitsuo Shoji, Hiroshi Isobe, Syusuke Yamanaka, Jiro Shimada, Yasutaka Kitagawa, Mitsutaka Okumura

Journal:

Isamu Shigemoto, Tomonori Kawakami, Hiroshi Taiko, Mitsutaka Okumura

Année:

2009

Langue:

english

Fichier:

PDF, 1.21 MB

english, 2009

A quantum chemical study on the polycondensation reaction of polyesters: The mechanism of catalysis in the polycondensation reaction

Journal:

Polymer

Année:

2011

Langue:

english

Fichier:

PDF, 1.02 MB

english, 2011

Theoretical studies of the effect of orientation of ligands and spin contamination error on the chemical bonding in the FeO2 core in oxymyoglobin

Toru Saito, Yusuke Kataoka, Yasuyuki Nakanishi, Toru Matsui, Yasutaka Kitagawa, Takashi Kawakami, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Journal of Molecular Structure: THEOCHEM

Année:

2010

Langue:

english

Fichier:

PDF, 633 KB

english, 2010

DFT studies of interaction between O2 and Au clusters. The role of anionic surface Au atoms on Au clusters for catalyzed oxygenation

Mitsutaka Okumura, Yasutaka Kitagawa, Masatake Haruta, Kizashi Yamaguchi

Journal:

Mitsutaka Okumura, Koji Tanaka, Atsushi Ueda, Masatake Haruta

Année:

2001

Langue:

english

Fichier:

PDF, 97 KB

english, 2001

The reactivities of dimethylgold(III)β-diketone on the surface of TiO2: A novel preparation method for Au catalysts

Journal:

Solid State Ionics

Année:

1997

Langue:

english

Fichier:

PDF, 601 KB

english, 1997

The influence of the support on the activity and selectivity of Pd in CO hydrogenation

Wen-Jie Shen, Mitsutaka Okumura, Yasuyuki Matsumura, Masatake Haruta

Journal:

Wen-Jie Shen, Yuichi Ichihashi, Hisonori Ando, Mitsutaka Okumura, Masatake Haruta, Yasuyuki Matsumura

Année:

2001

Langue:

english

Fichier:

PDF, 185 KB

english, 2001

Influence of palladium precursors on methanol synthesis from CO hydrogenation over Pd/CeO2 catalysts prepared by deposition–precipitation method

Journal:

Wen-Jie Shen, Yuichi Ichihashi, Hisonori Ando, Yasuyuki Matsumura, Mitsutaka Okumura, Masatake Haruta

Année:

2001

Langue:

english

Fichier:

PDF, 136 KB

english, 2001

Effect of reduction temperature on structural properties and CO/CO2 hydrogenation characteristics of a Pd-CeO2 catalyst

Journal:

Année:

2001

Langue:

english

Fichier:

PDF, 148 KB

english, 2001

Effect of surface chemical properties and texture of mesoporous titanosilicates on direct vapor-phase epoxidation of propylene over Au catalysts at high reaction temperature

Caixia Qi, Tomoki Akita, Mitsutaka Okumura, Koji Kuraoka, Masatake Haruta

Journal:

Mitsutaka Okumura, Susumu Tsubota, Masatake Haruta

Année:

2003

Langue:

english

Fichier:

PDF, 3.29 MB

english, 2003

Preparation of supported gold catalysts by gas-phase grafting of gold acethylacetonate for low-temperature oxidation of CO and of H2

Journal:

Journal of Molecular Catalysis A: Chemical

Année:

2003

Langue:

english

Fichier:

PDF, 511 KB

english, 2003

Possibilities of molecule-based spintoronics of DNA wires, sheets, and related materials

Takashi Kawakami, Takeshi Taniguchi, Tomohiro Hamamoto, Yasutaka Kitagawa, Mitsutaka Okumura, Kizashi Yamaguchi

Journal:

Année:

2005

Langue:

english

Fichier:

PDF, 304 KB

english, 2005

Quantum dynamics in high-spin molecules, spin dendrimers, and spin lattices

Masahiro Takahata, Mitsuo Shoji, Hiroya Nitta, Ryo Takeda, Shusuke Yamanaka, Mitsutaka Okumura, Masayoshi Nakano, Kizashi Yamaguchi

Journal:

Mitsuo Shoji, Kenichi Koizumi, Takeshi Taniguchi, Yasutaka Kitagawa, Shusuke Yamanaka, Mitsutaka Okumura, Kizashi Yamaguchi

Année:

2005

Langue:

english

Fichier:

PDF, 241 KB

english, 2005

Theory of chemical bonds in metalloenzymes III: Full geometry optimization and vibration analysis of ferredoxin-type [2Fe–2S] cluster

Journal: