Substitution of Sn Ions in (Ba,Ca)TiO 3 Perovskites von Suzuki, Shoichiro, Iwaji, Naoki, Honda, Atsushi, Higai, Shin'ichi, Wada, Nobuyuki, Ando, Akira, Takagi, Hiroshi

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Remarkable enhancement of adsorption stability for H2O and CO2 molecules on ceramic BaTiO3 nanocluster surfaces: Theoretical study von Higai Shin'ichi

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Interactions between Mn dopant and oxygen vacancy for insulation performance of BaTiO3 von Chikada, Shunsuke, Kubota, Teppei, Honda, Atsushi, Higai, Shin'ichi, Motoyoshi, Yasuhiro, Wada, Nobuyuki, Shiratsuyu, Kosuke

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Density functional theory investigation of benzenethiol adsorption on Au(111) von Nara, Jun, Higai, Shin'ichi, Morikawa, Yoshitada, Ohno, Takahisa

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Difference in dimer conformation between amyloid-β(1–42) and (1–43) proteins: Replica exchange molecular dynamics simulations in water von Yano, Atsushi, Okamoto, Akisumi, Nomura, Kazuya, Higai, Shin’ichi, Kurita, Noriyuki

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Stable conformation of full-length amyloid-β (1–42) monomer in water: Replica exchange molecular dynamics and ab initio molecular orbital simulations von Okamoto, Akisumi, Yano, Atsushi, Nomura, Kazuya, Higai, Shin’ichi, Kurita, Noriyuki

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Molecular Dynamics Study of Ionic Liquids in Graphite Nanopores von OKADA, Yasuaki, ITO, Tomonori, MINAMIKAWA, Tadahiro, KAMISUKI, Hiroyuki, HIGAI, Shin’ichi, SHIRATSUYU, Kosuke

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Off-centering of rare-earth ion in (Ba,R)(Ti,Mg)O 3 (R = Gd, Dy) von Takeda, Shoichi, Yasuda, Satoshi, Moriyoshi, Chikako, Kuroiwa, Yoshihiro, Honda, Atsushi, Inoue, Noriyuki, Higai, Shin’ichi, Ando, Akira

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Effect of D23N mutation on the dimer conformation of amyloid β-proteins: Ab initio molecular simulations in water von Okamoto, Akisumi, Yano, Atsushi, Nomura, Kazuya, Higai, Shin’ichi, Kurita, Noriyuki

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Industry meets theory: computational R & D for innovative products von Higai, Shin’ichi, Honda, Atsushi, Motoyoshi, Yasuhiro, Wada, Nobuyuki, Takagi, Hiroshi, Sakabe, Yukio

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Theoretical study on low dielectric loss perovskites Ba(Zn 1/3 Ta 2/3 )O 3 by first-principles calculations von Honda, Atsushi, Higai, Shin’ichi, Kageyama, Keisuke, Higuchi, Yukio, Shiratsuyu, Kosuke

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Ab initio molecular simulations on specific interactions between amyloid beta and monosaccharides von Nomura, Kazuya, Okamoto, Akisumi, Yano, Atsushi, Higai, Shin’ichi, Kondo, Takashi, Kamba, Seiji, Kurita, Noriyuki

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Theoretical Study on Interactions between Oxygen Vacancy and Doped Rare-Earth Elements in Barium Titanate von Honda, Atsushi, Higai, Shin'ichi, Motoyoshi, Yasuhiro, Wada, Nobuyuki, Takagi, Hiroshi

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Off-centering of rare-earth ion in (Ba,R)(Ti,Mg)O3 (R = Gd, Dy) von Takeda, Shoichi, Yasuda, Satoshi, Moriyoshi, Chikako, Kuroiwa, Yoshihiro, Honda, Atsushi, Inoue, Noriyuki, Higai, Shin ichi, Ando, Akira

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Theoretical study on adsorption of thiophenethiolate molecule on Au(1 1 1) surface von Higai, Shin’ichi, Nara, Jun, Ohno, Takahisa

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Alkali-metal lithium on graphite monolayer surface: Theoretical study von Higai, Shin’ichi, Honda, Atsushi, Nishida, Kunio, Wada, Nobuyuki, Sakabe, Yukio

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First-principles calculations for structural phase transition of LixFeS2 von HONDA, Atsushi, HIGAI, Shinichi, WADA, Nobuyuki, SAKABE, Yukio

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Substitution of Sn Ions in (Ba,Ca)TiO3 Perovskites von Suzuki, Shoichiro, Iwaji, Naoki, Honda, Atsushi, Higai, Shin'ichi, Wada, Nobuyuki, Ando, Akira, Takagi, Hiroshi

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Effects of Sn2+ Ion Size on Sn Doped SrTiO3 von Suzuki, Shoichiro, Honda, Atsushi, Suzuki, Keigo, Higai, Shin'ichi, Ando, Akira, Niwa, Ken, Hasegawa, Masashi

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Tail molecule dependence of thiolate adsorption on Au(111) surface: Theoretical study von Higai, Shin'ichi, Nara, Jun, Ohno, Takahisa

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