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Volumn 112, Issue 24, 2008, Pages 5467-5477

Ground- and excited-state properties of the mixed-valence complex [(NH 3)5RuIIINCRuII(CN)5] -

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTATIONAL STUDIES; EXCITED-STATE PROPERTIES; MIXED-VALENCE COMPLEXES;

EID: 53349157133     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp801017m     Document Type: Article
Times cited : (10)

References (60)
  • 25
    • 53349128793 scopus 로고    scopus 로고
    • Quantum Dynamics of Complex Molecular Systems
    • Micha, D. A, Burghardt, I, Eds, Springer: Berlin
    • Thoss, M.; Kondov, I.; Wang, H. In Quantum Dynamics of Complex Molecular Systems; Micha, D. A. , Burghardt, I. , Eds.; Springer Series in Chemical Physics Vol. 83; Springer: Berlin, 2007; p 195.
    • (2007) Springer Series in Chemical Physics , vol.83 , pp. 195
    • Thoss, M.1    Kondov, I.2    Wang, H.3
  • 49
    • 53349174756 scopus 로고    scopus 로고
    • The expectation value of the total spin squared (S2) is at most 1.4% larger than 3/4 for each basis set and functional used. Thus, me ground state is practically a pure doublet
    • 2) is at most 1.4% larger than 3/4 for each basis set and functional used. Thus, me ground state is practically a pure doublet.
  • 55
    • 0009621298 scopus 로고    scopus 로고
    • Domcke, W, Yarkony, D. R, Koppel, H, Eds, World Scientific: Singapore
    • Domcke, W., Yarkony, D. R., Koppel, H., Eds.; Advanced Series in Physical Chemistry, Vol. 15; World Scientific: Singapore, 2004.
    • (2004) Advanced Series in Physical Chemistry , vol.15


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.