Higai, Shin'ichi : rechercher sur Z-Library

Honda, Atsushi, Higai, Shin'ichi, Motoyoshi, Yasuhiro, Wada, Nobuyuki, Takagi, Hiroshi

Année:

2012

Langue:

english

Fichier:

PDF, 1.42 MB

english, 2012

Theoretical Study on Interactions between Oxygen Vacancy and Doped Rare-Earth Elements in Barium Titanate

Journal:

Année:

2011

Langue:

english

Fichier:

PDF, 464 KB

english, 2011

Effects of Lattice Constant and Sintering Atmosphere on Substitution of Sn$^{2+}$ Ions at Ba Site in (Ba,Ca)TiO$_{3}$ Perovskites: Experimental and Theoretical Studies

Suzuki, Shoichiro, Honda, Atsushi, Higai, Shin'ichi, Ando, Akira, Wada, Nobuyuki, Takagi, Hiroshi

Journal:

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

Année:

2011

Langue:

english

Fichier:

PDF, 503 KB

english, 2011

Electronic Structure and Charge Transfer Mechanism of Bromine-Graphite Intercalation Compound

Higai, Shin, ichi, Mizuno, Seiji, Suzuki, Shugo, Nakao, Kenji

Journal:

Année:

1998

Langue:

english

Fichier:

PDF, 290 KB

english, 1998

Industry meets theory: computational R & D for innovative products

Higai, Shin’ichi, Honda, Atsushi, Motoyoshi, Yasuhiro, Wada, Nobuyuki, Takagi, Hiroshi, Sakabe, Yukio

Journal:

Journal of Physics Condensed Matter

Année:

2010

Langue:

english

Fichier:

PDF, 717 KB

english, 2010

Difference in dimer conformation between amyloid-β(1–42) and (1–43) proteins: Replica exchange molecular dynamics simulations in water

Yano, Atsushi, Okamoto, Akisumi, Nomura, Kazuya, Higai, Shin’ichi, Kurita, Noriyuki

Journal:

Chemical Physics Letters

Année:

2014

Langue:

english

Fichier:

PDF, 1.97 MB

english, 2014

Stable conformation of full-length amyloid-β (1–42) monomer in water: Replica exchange molecular dynamics and ab initio molecular orbital simulations

Okamoto, Akisumi, Yano, Atsushi, Nomura, Kazuya, Higai, Shin’ichi, Kurita, Noriyuki

Journal:

Chemical Physics Letters

Année:

2013

Langue:

english

Fichier:

PDF, 1.03 MB

english, 2013

Ab initio molecular simulations on specific interactions between amyloid beta and monosaccharides

Nomura, Kazuya, Okamoto, Akisumi, Yano, Atsushi, Higai, Shin’ichi, Kondo, Takashi, Kamba, Seiji, Kurita, Noriyuki

Journal:

Chemical Physics Letters

Année:

2012

Langue:

english

Fichier:

PDF, 539 KB

english, 2012

High-Throughput Synthesis and Characterization of (Ba x Sr 1– x ) 1+ y Ti 1– y O 3−δ and (Ba x Sr 1– x ) 1+ y T

David, Anaïs, Guérin, Samuel, Hayden, Brian E., Noble, Robert, Soulié, Jean-Philippe, Vian, Christopher, Koutsaroff, Ivoyl P., Higai, Shin’ichi, Tanaka, Nobuhiko, Konoike, Takehiro, Ando, Akira, Takag

Journal:

Crystal Growth & Design

Année:

2014

Langue:

english

Fichier:

PDF, 2.02 MB

english, 2014

Effect of D23N mutation on the dimer conformation of amyloid β-proteins: Ab initio molecular simulations in water

Okamoto, Akisumi, Yano, Atsushi, Nomura, Kazuya, Higai, Shin’ichi, Kurita, Noriyuki

Journal:

Journal of Molecular Graphics and Modelling

Année:

2014

Langue:

english

Fichier:

PDF, 2.91 MB

english, 2014

Substitution of Sn Ions in (Ba,Ca)TiO$_{3}$ Perovskites

Suzuki, Shoichiro, Iwaji, Naoki, Honda, Atsushi, Higai, Shin'ichi, Wada, Nobuyuki, Ando, Akira, Takagi, Hiroshi

Journal:

Higai, Shin'ichi, Mizuno, Seiji, Suzuki, Shugo, Nakao, Kenji

Année:

2012

Langue:

english

Fichier:

PDF, 665 KB

english, 2012

Charge Transfer Mechanism and Electronic States of Acceptor-Type Graphite Intercalation Compounds

Journal:

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

Année:

2000

Langue:

english

Fichier:

PDF, 341 KB

english, 2000

Effects of Sn 2+ Ion Size on Sn Doped SrTiO 3

Suzuki, Shoichiro, Honda, Atsushi, Suzuki, Keigo, Higai, Shin'ichi, Ando, Akira, Niwa, Ken, Hasegawa, Masashi

Journal:

Higai, Shin’ichi, Nara, Jun, Ohno, Takahisa

Année:

2013

Langue:

english

Fichier:

PDF, 468 KB

english, 2013

Tail molecule dependence of thiolate adsorption on Au(111) surface: Theoretical study

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 274 KB

english, 2004

Structures of nitrided Si(001) surfaces: First-principles theoretical study

Higai, Shin’ichi, Mizuno, Seiji, Nakao, Kenji

Journal:

Applied Physics Letters

Année:

2003

Langue:

english

Fichier:

PDF, 618 KB

english, 2003

Theoretical study on electronic states of potassium-oxygen-graphite ternary intercalation compounds

Journal:

Année:

1998

Langue:

english

Fichier:

PDF, 242 KB

english, 1998

surfaces: First-principles study

Journal:

Nara, Jun, Higai, Shin’ichi, Morikawa, Yoshitada, Ohno, Takahisa

Année:

2002

Langue:

english

Fichier:

PDF, 1.63 MB

english, 2002

Density functional theory investigation of benzenethiol adsorption on Au(111)

Journal:

The Journal of Chemical Physics

Année:

2004

Langue:

english

Fichier:

PDF, 756 KB

english, 2004

Surface hydrogenation as a method to purify and flatten a silicon surface

Journal:

Applied Physics Letters

Année:

2001

Langue:

english

Fichier:

PDF, 411 KB

english, 2001

Effects of surface hydrogenation on initial reaction processes of transition-metal Ni and Ti adatoms on Si(001) surfaces

Journal:

Année:

2000

Langue:

english

Fichier:

PDF, 345 KB

english, 2000

Piezoelectric Properties of Sn-Doped (K,Na)NbO 3 Ceramics

Ishii, Hideki, Kawada, Shinichiro, Suzuki, Shoichiro, Honda, Atsushi, Higai, Shin'ichi, Hayashi, Hiroyuki, Okuzawa, Tadashi, Kimura, Masahiko, Omiya, Suetake, Kubodera, Noriyuki, Konoike, Takehiro

Journal:

Honda, Atsushi, Higai, Shin'ichi, Okamoto, Takafumi, Inoue, Noriyuki, Motoyoshi, Yasuhiro, Wada, Nobuyuki, Takagi, Hiroshi

Année:

2013

Langue:

english

Fichier:

PDF, 118 KB

english, 2013

Alkaline-Earth and Rare-Earth Elements and Oxygen Vacancy in BaTiO3: Analyses by First-Principles Calculations and EXAFS

Journal:

Key Engineering Materials

Année:

2011

Langue:

english

Fichier:

PDF, 387 KB

english, 2011

AIP Conference Proceedings [AIP Publishing LLC INTERNATIONAL CONFERENCE OF COMPUTATIONAL METHODS IN SCIENCES AND ENGINEERING 2014 (ICCMSE 2014) - Athens, Greece (4–7 April 2014)] - Remarkable enhancement of adsorption stability for H2O and CO2 molecules on ceramic BaTiO3 nanocluster surfaces: Theoretical study

Higai, Shin'ichi

Année:

2014

Langue:

english

Fichier:

PDF, 1.51 MB

english, 2014

Effects of Surface Hydrogenation on Initial Reaction Processes of Transition-Metal Adatoms on Silicon Surfaces

Higai, Shin'ichi, Ohno, Takahisa

Journal:

MRS Proceedings

Année:

2000

Langue:

english

Fichier:

PDF, 80 KB

english, 2000

Molecular Dynamics Study of Ionic Liquids in Graphite Nanopores

OKADA, Yasuaki, ITO, Tomonori, MINAMIKAWA, Tadahiro, KAMISUKI, Hiroyuki, HIGAI, Shin^|^rsquo, ichi, SHIRATSUYU, Kosuke

Journal:

Electrochemistry

Année:

2013

Langue:

english

Fichier:

PDF, 1.95 MB

english, 2013

Interactions between Mn dopant and oxygen vacancy for insulation performance of BaTiO 3

Chikada, Shunsuke, Kubota, Teppei, Honda, Atsushi, Higai, Shin'ichi, Motoyoshi, Yasuhiro, Wada, Nobuyuki, Shiratsuyu, Kosuke

Journal:

Journal of Applied Physics

Année:

2016

Langue:

english

Fichier:

PDF, 592 KB

english, 2016

Two-Dimensional σ-Hole Systems in Boron Layers: A First-Principles Study on Mg 1- x Na x B 2 and Mg 1- x Al x B 2

Suzuki, Shugo, Higai, Shin'ichi, Nakao, Kenji

Journal:

Journal of the Physical Society of Japan

Année:

2001

Langue:

english

Fichier:

PDF, 191 KB

english, 2001

Theoretical study on low dielectric loss perovskites Ba(Zn 1/3 Ta 2/3 )O 3 by first-principles calculations

Honda, Atsushi, Higai, Shin’ichi, Kageyama, Keisuke, Higuchi, Yukio, Shiratsuyu, Kosuke

Journal:

Année:

2015

Langue:

english

Fichier:

PDF, 1018 KB

english, 2015

Quantum-continuum simulation of the electrochemical response of pseudocapacitor electrodes under realistic conditions

Keilbart, Nathan, Okada, Yasuaki, Feehan, Aion, Higai, Shin'ichi, Dabo, Ismaila

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 3.04 MB

english, 2017

Structure fluctuation in Gd- and Mg-substituted BaTiO 3 with cubic structure

Takeda, Shoichi, Zhang, Zhi-Gang, Moriyoshi, Chikako, Kuroiwa, Yoshihiro, Honda, Atsushi, Inoue, Noriyuki, Higai, Shin’ichi, Ando, Akira

Journal:

Année:

2017

Langue:

english

Fichier:

PDF, 860 KB

english, 2017

Off-centering of rare-earth ion in (Ba, R )(Ti,Mg)O 3 ( R = Gd, Dy)

Takeda, Shoichi, Yasuda, Satoshi, Moriyoshi, Chikako, Kuroiwa, Yoshihiro, Honda, Atsushi, Inoue, Noriyuki, Higai, Shin’ichi, Ando, Akira

Journal: