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Volumn 732, Issue 1-3, 2005, Pages 63-70

DFT study on the electron affinities of the chlorinated benzenes

Author keywords

Chlorinated benzenes; DFT; Electron affinities; Geometries

Indexed keywords


EID: 26844524663     PISSN: 01661280     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.theochem.2005.07.007     Document Type: Article
Times cited : (8)

References (31)
  • 2
    • 0018606149 scopus 로고
    • Hexachlorobenzene (HCB): A review
    • K.D. Courtney Hexachlorobenzene (HCB): a review Environ. Res. 20 1979 225
    • (1979) Environ. Res. , vol.20 , pp. 225
    • Courtney, K.D.1
  • 4
    • 0019225778 scopus 로고
    • Liver-cell tumors in rats fed hexachlorobenzene
    • A.G. Smith, and R. Cabral Liver-cell tumors in rats fed hexachlorobenzene Cancer Lett. 11 1980 169 172
    • (1980) Cancer Lett. , vol.11 , pp. 169-172
    • Smith, A.G.1    Cabral, R.2
  • 11
    • 34250817103 scopus 로고
    • The BHandHLYP 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.
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372
    • Becke, A.D.1
  • 19
    • 0004040140 scopus 로고
    • Department of Chemistry, University of Alberta Edmonton, Alberta, Canada
    • S. Huzinaga Approximate Atomic Wavefunctions II vol. 2 1971 Department of Chemistry, University of Alberta Edmonton, Alberta, Canada
    • (1971) Approximate Atomic Wavefunctions II , vol.2
    • Huzinaga, S.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.