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J-GLOBAL ID：201102281657284210   Reference number：10A1377436

Theoretical Studies on Electronic Structures and Spectroscopic Properties of [Ru(Htcterpy)X3](3-)-[X=NCS,CN,Cl]

[Ru(Htcterpy)X3](3-)-[X=NCS,CN,Cl]の電子構造と分光特性における理論的研究

Author (6)： LI MingXiai (State Key Lab. of Theoretical and Computational Chemistry, Inst. of Theoretical Chemistry, Jilin Univ., Changchun) ,  ZHOU Xin (State Key Lab. of Theoretical and Computational Chemistry, Inst. of Theoretical Chemistry, Jilin Univ., Changchun) ,  PAN QingJiang (School of Chemistry and Materials Sci., Heilongfiang Univ., Harbin) ,  ZHANG HongXing (State Key Lab. of Theoretical and Computational Chemistry, Inst. of Theoretical Chemistry, Jilin Univ., Changchun) ,  FU HongGang (School of Chemistry and Materials Sci., Heilongfiang Univ., Harbin) ,  SUN ChiaChung (State Key Lab. of Theoretical and Computational Chemistry, Inst. of Theoretical Chemistry, Jilin Univ., Changchun)
Material： Gaodeng Xuexiao Huaxue Xuebao  (Chemical Journal of Chinese Universities)
Volume： 28  Issue： 12  Page： 2377-2380  Publication year： 2007 
JST Material Number： C2116A  ISSN： 0251-0790  Document type： Article
Article type： 原著論文  Country of issue： China (CHN)  Language： CHINESE (ZH)

Thesaurus term： *ruthenium complex ,  *nitrogen heterocyclic compound ,  cyano complex ,  chloro complex ,  complex(compound) ,  *density functional method ,  *absorption spectrum ,  gas phase ,  liquid phase ,  water ,  solvent effect ,  charge transfer ,  blue shift ,  prediction technique ,  aliphatic alcohol
Semi thesaurus term： *4,4,4′′-トリカルボキシ-2,2:6,2′′-テルピリジン ,  B3LYP ,  イソチオシアノ錯体 ,  *terpyridines ,  *time dependent density functional theory

JST classification (3)： Platinum family element complexes  (CE01100E) ,  Visible and ultraviolet spectra of complex molecules  (BH06044U) ,  Electronic structure of molecules  (BH05010Q)

Substance index (1)： Ethanol

Terms in the title (7)： Ru ,  Cn ,  Cl ,  電子構造 ,  分光特性 ,  理論 ,  研究