Theoretical study on the stability of double-decker type metal phthalocyanines, M(Pc)2 and M(Pc)2+ (M = Ti, Sn and Sc): a critical assessment on the performance of density functionals

SUMIMOTO Michinori; KAWASHIMA Yukio; HORI Kenji; FUJIMOTO Hitoshi

Art

J-GLOBAL ID：201502286774855335 Reference number：15A0520800

Theoretical study on the stability of double-decker type metal phthalocyanines, M(Pc)₂ and M(Pc)₂⁺ (M = Ti, Sn and Sc): a critical assessment on the performance of density functionals

ダブルデッカー型金属フタロシアニン,M(PC)₂およびM(PC)₂⁺(M=Ti,Sn,Sc)の安定性に関する理論的研究: 密度汎関数の性能についての重要な評価

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Volume： 17 Issue： 9 Page： 6478-6483 Publication year： Mar. 07, 2015
JST Material Number： A0271C ISSN： 1463-9076 CODEN： PPCPFQ Document type： Article
Article type：原著論文 Country of issue： United Kingdom (GBR) Language： ENGLISH (EN)

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Crystal structure of complex of transition metals(excluding iron group)

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