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Volumn 2, Issue 7, 2012, Pages 2707-2712

On the electronic structure and conflicting d-orbital aromaticity in the Re 3O 3 - cluster

Author keywords

[No Author keywords available]

Indexed keywords

AROMATICITIES; CHEMICAL BONDINGS; DENSITY-FUNCTIONAL THEORY CALCULATIONS; GROUND-STATE STRUCTURES; NEUTRAL CLUSTERS; ORBITALS; PHOTO-DETACHMENT; PHOTOELECTRON SPECTRUM; RESONANCE ENERGIES; STRETCHING FREQUENCY;

EID: 84859127803     PISSN: None     EISSN: 20462069     Source Type: Journal    
DOI: 10.1039/c2ra00753c     Document Type: Article
Times cited : (20)

References (42)
  • 11
    • 71549116080 scopus 로고    scopus 로고
    • n (n = 3, 4) clusters shows that the B3LYP calculations with the current basis sets can yield relatively accurate ground-state VDEs for Re oxide clusters
    • P. Pyykkö M. Atsumi Chem.-Eur. J. 2009 15 12770
    • (2009) Chem.-Eur. J. , vol.15 , pp. 12770
    • Pyykkö, P.1    Atsumi, M.2
  • 40
    • 0038626673 scopus 로고    scopus 로고
    • revision D.01, Gaussian, Inc., Wallingford, CT
    • M. J. Frisch et al., Gaussian 03, revision D.01, Gaussian, Inc., Wallingford, CT, 2004
    • (2004) Gaussian 03
    • Frisch, M.J.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.