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Volumn 45, Issue 7, 2006, Pages 2866-2872

STM/STS observation of polyoxoanions on HOPG surfaces: The wheel-shaped [Cu20Cl(OH)24(H2O)12(P 8W48O184)]25- and the ball-shaped [{Sn(CH3)2(H2O)}24{Sn(CH 3)2}12(A-PW9O34) 12]36-

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EID: 33645854367     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic051586z     Document Type: Article
Times cited : (58)

References (47)
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    • (f) Polyoxometalate Chemistry for Nano-Composite Design; Yamase, T., Pope, M. T., Eds.; Kluwer: Dordrecht, The Netherlands, 2002.
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    • Borrás-Almenar, J. J., Coronado, E., Müller, A., Pope, M. T., Eds.; Kluwer: Dordrecht, The Netherlands
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    • (a) Ho, W. J. Chem. Phys. 2002, 117, 11033.
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    • Ho, W.J.1
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    • note
    • It could be added that a notably insufficient inclusion of Coulomb correlation effects in a conventional DFT calculation like the present one cannot be responsible for the discrepancy observed. Namely, the qualitative effect of stronger Coulomb correlation within the quite localized Cu 3d shell is predictable. It would be the shift of the occupied Cu d levels downward, enhancing the O 2p character in the highest occupied states.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.