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Volumn 112, Issue 30, 2008, Pages 6999-7014

Structures, electron affinities, and harmonie vibrational frequencies of the simplest alkyl peroxyl radicals and their anions

Author keywords

[No Author keywords available]

Indexed keywords

ELECTRON AFFINITIES; PEROXYL RADICALS; VIBRATIONAL FREQUENCIES;

EID: 49349091385     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp7118923     Document Type: Article
Times cited : (6)

References (70)
  • 7
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    • Gardiner, W. C., Ed. Combustion Chemistry; Springer-Verlag: New York, 1984.
    • (1984) Combustion Chemistry
  • 25
    • 0003464216 scopus 로고    scopus 로고
    • Mallard, W. G, Linstrom, P. J, Eds, Gaithersburg, MD, Feb
    • Mallard, W. G., Linstrom, P. J., Eds.; NIST Chemistry WebBook: NIST Standard Reference Database Number 69; National Institute of Standards and Technology: Gaithersburg, MD, 2000 (Feb); http://webbook.nist.gov.
    • (2000) NIST Chemistry WebBook: NIST Standard Reference Database Number 69
  • 28
    • 34250817103 scopus 로고
    • The BH and HLYP 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 Becke in his paper
    • Becke, A. D. J. Chem. Phys. 1993, 98, 1372. The BH and HLYP 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 Becke in his paper.
    • (1993) J. Chem. Phys , vol.98 , pp. 1372
    • Becke, A.D.1
  • 35
    • 0004040140 scopus 로고
    • Department of Chemistry, University of Alberta: Edmonton, Alberta, Canada
    • Huzinaga, S. Approximate Atomic Wavefunctions II, Department of Chemistry, University of Alberta: Edmonton, Alberta, Canada, 1971 ; Vol. II.
    • (1971) Approximate Atomic Wavefunctions II , vol.2
    • Huzinaga, S.1
  • 36
    • 0001869946 scopus 로고
    • Schaefer, H. F, Ed, Plenum: New York, Chapter 1, pp
    • Dunning, T. H.; Hay, P. J. In Modern Theoretical Chemistry; Schaefer, H. F., Ed.; Plenum: New York, 1977; Chapter 1, pp 1-27.
    • (1977) Modern Theoretical Chemistry , pp. 1-27
    • Dunning, T.H.1    Hay, P.J.2
  • 48
    • 0037360119 scopus 로고    scopus 로고
    • Vibrational and electronic energy levels of polyatomic transient molecules: Supplement B
    • Jacox, M. E. Vibrational and electronic energy levels of polyatomic transient molecules: supplement B. J. Phys. Chem. Ref. Data 2003, 32 (1), 1-441.
    • (2003) J. Phys. Chem. Ref. Data , vol.32 , Issue.1 , pp. 1-441
    • Jacox, M.E.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.