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Volumn 108, Issue 16, 2004, Pages 3598-3614

Novel Interhalogen Molecules: Structures, Thermochemistry, and Electron Affinities of Dibromine Fluorides Br 2F n/Br 2F n - (n = 1-6)

Author keywords

[No Author keywords available]

Indexed keywords

DENSITY FUNCTION THEORY (DFT); DISSOCIATION ENERGIES; ELECTRON AFFINITIES (EA); THERMOCHEMISTRY;

EID: 2342639596     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp031311+     Document Type: Article
Times cited : (10)

References (32)
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    • The BHandHLYP method implemented in the Gaussian programs has the formula, 0.5*Ex(LSDA)+O.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. 1993, 98, 1372.
    • (1993) J. Chem. Phys. , vol.98 , pp. 1372
    • Becke, A.D.1
  • 11
    • 4043083704 scopus 로고    scopus 로고
    • Perdew, J. P. Phys. Rev. B 1986, 33, 8822; 34, 7406.
    • Phys. Rev. B , vol.34 , pp. 7406
  • 14
    • 36849140788 scopus 로고
    • Huzinaga, S. J. Chem. Phys. 1965, 42, 1293. Duning, T. H. J. Chem. Phys. 1970, 53, 2823.
    • (1965) J. Chem. Phys. , vol.42 , pp. 1293
    • Huzinaga, S.1
  • 15
    • 28944448300 scopus 로고
    • Huzinaga, S. J. Chem. Phys. 1965, 42, 1293. Duning, T. H. J. Chem. Phys. 1970, 53, 2823.
    • (1970) J. Chem. Phys. , vol.53 , pp. 2823
    • Duning, T.H.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.