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Volumn 49, Issue 9, 2010, Pages 4175-4178

Toward the synthetic control of the HOMO-LUMO gap in binuclear systems: Insights from density functional calculations

Author keywords

[No Author keywords available]

Indexed keywords

FERROUS ION; LIGAND;

EID: 77951525198     PISSN: 00201669     EISSN: None     Source Type: Journal    
DOI: 10.1021/ic902326y     Document Type: Article
Times cited : (10)

References (52)
  • 11
    • 0005481864 scopus 로고
    • Mixed-Valency systems: Applications in chemistry
    • Kluwer Academic Publishers: Dordrecht, The Netherlands.
    • Prassides, K. Mixed-Valency Systems: Applications in Chemistry. Physics and Biology; Kluwer Academic Publishers: Dordrecht, The Netherlands, 1991.
    • (1991) Physics and Biology
    • Prassides, K.1
  • 47
    • 65549119594 scopus 로고    scopus 로고
    • Calculated as [(C3-M)-(C1-M)]/(C1-M) %. For further details, see.
    • Calculated as [(C3-M)-(C1-M)]/(C1-M) %. For further details, see: Muñoz-Castro, A., Mac-Leod Carey, D., and Arratia-Pérez, R. Polyhedron 2009, 28, 1561.
    • (2009) Polyhedron , vol.28 , pp. 1561
    • Muñoz-Castro, A.1    Mac-Leod Carey, D.2    Arratia-Pérez, R.3
  • 50
    • 0034373424 scopus 로고    scopus 로고
    • Lipkowitz, K. B. and Boyd, D. B., Eds.; Wiley-VCH: New York,; Vol., p.
    • Bickelhaupt, F. M. and Baerends, E. J. In Reviews in Computational Chemistry; Lipkowitz, K. B. and Boyd, D. B., Eds.; Wiley-VCH: New York, 2000; Vol. 15, p 1.
    • (2000) Reviews in Computational Chemistry , vol.15 , pp. 1
    • Bickelhaupt, F.M.1    Baerends, E.J.2
  • 52
    • 33947413134 scopus 로고    scopus 로고
    • For a recent discussion about how the level of theory affects the eigenvalues of the frontier orbitals, see
    • For a recent discussion about how the level of theory affects the eigenvalues of the frontier orbitals, see: Zhang, G. and Musgrave, C. B. J. Phys. Chem. A 2007, 111, 1554
    • (2007) J. Phys. Chem. A , vol.111 , pp. 1554
    • Zhang, G.1    Musgrave, C.B.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.