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J-GLOBAL ID：201702250039287967   Reference number：17A1709366

Theoretical study on relationship between spin structure and electron conductivity of one-dimensional tri-nickel(II) complex

一次元三ニッケル(II)錯体のスピン構造と電子伝導率の間の関係に関する理論的研究【Powered by NICT】

Author (11)： Kitagawa Yasutaka (Division of Chemical Engineering, Department of Engineering Science, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan) ,  Kitagawa Yasutaka (Center for Spintronics Research Network (CSRN), Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan) ,  Asaoka Mizuki (Division of Chemical Engineering, Department of Engineering Science, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan) ,  Natori Yoshiki (Division of Chemical Engineering, Department of Engineering Science, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan) ,  Miyagi Koji (Division of Chemical Engineering, Department of Engineering Science, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan) ,  Teramoto Rena (Division of Chemical Engineering, Department of Engineering Science, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan) ,  Matsui Toru (Graduate School of Pure and Applied Sciences, University of Tsukuba, 1-1-1, Tennodai, Tsukuba, Ibaraki 305-8577, Japan) ,  Shigeta Yasuteru (Center for Computational Science, University of Tsukuba, 1-1-1, Tennodai, Tsukuba, Ibaraki 305-8577, Japan) ,  Okumura Mitsutaka (Graduate School of Science, Osaka University, 1-1 Machikaneyama, Toyonaka, Osaka 560-0043, Japan) ,  Nakano Masayoshi (Division of Chemical Engineering, Department of Engineering Science, Graduate School of Engineering Science, Osaka University, 1-3 Machikaneyama, Toyonaka, Osaka 560-8531, Japan) ,  Nakano Masayoshi (Center for Spintronics Research Network (CSRN), Graduate School of Engineering Science, Osaka University, Toyonaka, Osaka 560-8531, Japan)
Material： Polyhedron
Volume： 136  Page： 125-131  Publication year： 2017 
JST Material Number： C0301B  ISSN： 0277-5387  Document type： Article
Article type： 原著論文  Country of issue： Netherlands (NLD)  Language： ENGLISH (EN)

Abstract/Point： Computational investigation ba...

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Thesaurus term： ferromagnetism ,  molecular switch ,  isothiocyanate ,  conductive property ,  *complex (compound) ,  density functional method ,  Gold ,  antiferromagnetism ,  *one dimension ,  Green function ,  metal complex ,  molecular orbital ,  delocalization ,  *conductivity ,  *electron conduction ,  switch

Author keywords (5)： EMACs ,  One-dimensional nickel(II) complex ,  Electron conductivity ,  Density functional theory ,  Green’s function theory

JST classification (2)： Crystal structure of complex of transition metals(excluding iron group)  (BK09030X) ,  Complexes of 9 and 10 groups  (CE01050Y)

Terms in the title (6)： ニッケル ,  錯体 ,  スピン構造 ,  電子伝導率 ,  理論 ,  研究