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Volumn 635, Issue 1-2, 2001, Pages 187-196

Electronic structure and spectra of ruthenium diimine complexes by density functional theory and INDO/S. Comparison of the two methods

Author keywords

Electron population analysis; Metal ligand covalency; Time dependent density functional response theory; ZINDO

Indexed keywords


EID: 0001694717     PISSN: 0022328X     EISSN: None     Source Type: Journal    
DOI: 10.1016/S0022-328X(01)01079-8     Document Type: Article
Times cited : (945)

References (70)
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    • Zerner M.C. Lipkowitz K.B., Boyd D.B. Reviews in Comp. Chemistry. 8:1991;313 VCH, New York. (chap. 2).
    • (1991) Reviews in Comp. Chemistry , vol.8 , pp. 313
    • Zerner, M.C.1
  • 19
    • 0003595007 scopus 로고    scopus 로고
    • N. Russo, & D.R. Salahub. Amsterdam: Kluwer Academic
    • Zerner M.C. Russo N., Salahub D.R. Metal-Ligand Interactions. 1996;493 Kluwer Academic, Amsterdam.
    • (1996) Metal-Ligand Interactions , pp. 493
    • Zerner, M.C.1
  • 20
    • 0007910108 scopus 로고    scopus 로고
    • Quantum Theory Project, University of Florida, Gainesville, FL
    • M.C. Zerner, ZINDO Program, version 98.1, Quantum Theory Project, University of Florida, Gainesville, FL.
    • ZINDO Program, Version 98.1
    • Zerner, M.C.1
  • 43
    • 0000083695 scopus 로고    scopus 로고
    • 1(s,p)=2.66 eV, γ(ss)=11.41 eV. Adopted from
    • 1(s,p)=2.66 eV, γ(ss)=11.41 eV. Adopted from S.I. Gorelsky, V.Yu. Kotov, Russ. J. Coord. Chem. 24 (1998) 491.
    • (1998) Russ. J. Coord. Chem. , vol.24 , pp. 491
    • Gorelsky, S.I.1    Kotov, V.Yu.2
  • 60
    • 0041466568 scopus 로고
    • K.B. Lipkowitz, Boyd D.B. New York: VCH. (chap. 3)
    • Bachrach S. Lipkowitz K.B., Boyd D.B. Reviews in Comp. Chemistry. 5:1994;VCH, New York. (chap. 3).
    • (1994) Reviews in Comp. Chemistry , vol.5
    • Bachrach, S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.