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書誌情報 | ファイル |
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Formation energy of Cr/Al vacancies in spinel MgCr2O4 and MgAl2O4 by first-principles calculations Moriwake, H; Tanaka, I; Oba, F; Koyama, Y; Adachi, H (2002-04-15) PHYSICAL REVIEW B, 65(15) | |
Relativistic cluster calculation of ligand-field multiplet effects on cation L-2,L-3 x-ray-absorption edges of SrTiO3, NiO, and CaF2 Ogasawara, K; Iwata, T; Koyama, Y; Ishii, T; Tanaka, I; Adachi, H (2001-09-15) PHYSICAL REVIEW B, 64(11) | |
First-principles multielectron calculations of Ni L-2,L-3 NEXAFS and ELNES for LiNiO2 and related compounds Ikeno, H; Tanaka, I; Koyama, Y; Mizoguchi, T; Ogasawara, K (2005) PHYSICAL REVIEW B, 72(7) | |
Evaluation of migration energy of lithium ions in chalcogenides and halides by first principles calculation Koyama, Y; Yamada, Y; Tanaka, I; Nishitani, SR; Adachi, H; Murayama, M; Kanno, R (2002) MATERIALS TRANSACTIONS, 43(7): 1460-1463 | |
Electronic structures and electrode potentials of layered lithium insertion electrodes by the first principles calculation Koyama, Y; Tanaka, I; Adachi, H (2003) ADVANCES IN QUANTUM CHEMISTRY, VOL 42, 42: 145-161 | |
First principles calculations of formation energies and electronic structures of defects in oxygen-deficient LiMn2O4 Koyama, Y; Tanaka, I; Adachi, H; Uchimoto, Y; Wakihara, M (2003) JOURNAL OF THE ELECTROCHEMICAL SOCIETY, 150(1): A63-A67 | |
First principles calculations of the formation energy of Cr/Al vacancies in spinel-type MgCr2O4 and MgAl2O4 Moriwake, H; Tanaka, I; Oba, F; Koyama, Y; Adachi, H (2003) INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 91(2): 208-210 | |
Chemical bondings around intercalated Cr and Fe atoms in TiS2 Kim, YS; Li, J; Tanaka, I; Koyama, Y; Adachi, H (2000) MATERIALS TRANSACTIONS JIM, 41(8): 1088-1091 | |
Crystal and electronic structures of superstructural Li1-x[Co1/3Ni1/3Mn1/3]O-2 (0 <= x <= 1) Koyama, Y; Tanaka, I; Adachi, H; Makimura, Y; Ohzuku, T (2003) JOURNAL OF POWER SOURCES, 119: 644-648 | |
First-principles multielectron calculations of Ni L-2,L-3 NEXAFS and ELNES for LiNiO2 and related compounds Ikeno, H; Tanaka, I; Koyama, Y; Mizoguchi, T; Ogasawara, K (2005-08) PHYSICAL REVIEW B, 72(7) |
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