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Volumn 863, Issue 1-3, 2008, Pages 1-8

The selenium oxygen clusters SeOn (n = 1-5) and their anions: Structures and electron affinities

Author keywords

Adiabatic electron affinity; Density functional method; Selenium oxygen clusters; Vertical detachment energy; Vertical electron affinity

Indexed keywords


EID: 47549089258     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2008.03.035     Document Type: Article
Times cited : (10)

References (52)
  • 1
    • 47549106380 scopus 로고    scopus 로고
    • World Health Organization, Selenium: Environmental Health Criteria Report No. 58, World Health Organization, Geneva, 1987.
    • World Health Organization, Selenium: Environmental Health Criteria Report No. 58, World Health Organization, Geneva, 1987.
  • 7
    • 47549089340 scopus 로고    scopus 로고
    • H.M. Ohlendorf, in: Selenium in Agriculture and the Environment, ASA and SSSA, Madison, 1989.
    • H.M. Ohlendorf, in: Selenium in Agriculture and the Environment, ASA and SSSA, Madison, 1989.
  • 33
    • 47549102834 scopus 로고    scopus 로고
    • The BH and LYP method implemented in the Gaussian programs has the formula, 0.5*Ex(LSDA)+0.5*Ex(HF)+0.5*Delta-Ex(B88)+Ec(LYP), which is not precisely the formulation proposed by A.D. Becke in his paper. J. Chem. Phys. 98 (1993) 1372.
    • The BH and LYP method implemented in the Gaussian programs has the formula, 0.5*Ex(LSDA)+0.5*Ex(HF)+0.5*Delta-Ex(B88)+Ec(LYP), which is not precisely the formulation proposed by A.D. Becke in his paper. J. Chem. Phys. 98 (1993) 1372.
  • 35
    • 47549103369 scopus 로고    scopus 로고
    • J. P. Perdew, P. Ziesche, H. Eschrig, Akademie Verlag, Berlin, 1991.
    • J. P. Perdew, P. Ziesche, H. Eschrig, Akademie Verlag, Berlin, 1991.
  • 36
    • 47549103791 scopus 로고    scopus 로고
    • M.J. Frisch et al., Gaussian 98, Revision A07, Gaussian Inc., Pittsburgh, PA, 1998.
    • M.J. Frisch et al., Gaussian 98, Revision A07, Gaussian Inc., Pittsburgh, PA, 1998.
  • 45
    • 0000196761 scopus 로고
    • Ab Initio Methods in Quantum Chemistry Part II
    • Lawley K.P. (Ed), John Wiley & Sons, New York
    • Roos B.O. Ab Initio Methods in Quantum Chemistry Part II. In: Lawley K.P. (Ed). Advances in Chemical Physics vol. 69 (1987), John Wiley & Sons, New York 399
    • (1987) Advances in Chemical Physics , vol.69 , pp. 399
    • Roos, B.O.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.