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Volumn 107, Issue 11, 2003, Pages 1879-1886

Gas phase generation of HCCCS and CCCHS radicals from anionic precursors. The rearrangement of CCCHS to HCCCS. A joint experimental and theoretical study

Author keywords

[No Author keywords available]

Indexed keywords

ANIONIC PRECURSORS; BOND CONNECTIVITY; ONE ELECTRON VERTICAL OXIDATION; SOFTWARE PACKAGE BECKE 3LYP;

EID: 0038061602     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp022328f     Document Type: Article
Times cited : (8)

References (57)
  • 1
    • 0037658234 scopus 로고    scopus 로고
    • http://www.cv.nrao.edu/~awootten/allmols.html.
  • 50
    • 0001138789 scopus 로고    scopus 로고
    • note
    • Blanksby, S. J.; Dua, S.; Bowie, J. H. J. Phys. Chem. 1999, 103, 5161. To cite a particular example, the value of adiabatic electron affinity of CCCC was calculated to be 3.65 eV at the same level of theory used in this study, whereas the experimental value is 3.88 eV.
    • (1999) J. Phys. Chem. , vol.103 , pp. 5161
    • Blanksby, S.J.1    Dua, S.2    Bowie, J.H.3
  • 52
    • 0038672419 scopus 로고    scopus 로고
    • note
    • -1 at the QCISD/6-311G** level of theory). We have not considered this process further, because it is energetically unfavorable in comparison with the concerted process shown in Figure 3.
  • 53
    • 0038333880 scopus 로고    scopus 로고
    • note
    • -1 from 4.
  • 54
    • 0037658229 scopus 로고    scopus 로고
    • note
    • 13CS neutrals or cations.
  • 55
    • 0037658232 scopus 로고    scopus 로고
    • note
    • 13CS neurals or cations.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.