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Volumn 107, Issue 51, 2003, Pages 11525-11532

Computational Studies of the Chemistry of Syn Acetaldehyde Oxide

Author keywords

[No Author keywords available]

Indexed keywords

ACTALDEHYDE OXIDES; QUANTUM CHEMISTRY;

EID: 0346276911     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp035720h     Document Type: Article
Times cited : (36)

References (62)
  • 50
    • 84990713479 scopus 로고
    • 1 values for the other transition structures studied here are significantly lower, giving us general confidence in the reliability of our model chemistry reaction barriers.
    • (1989) Int. J. Quantum Chem. S. , vol.23 , pp. 199
    • Lee, T.J.1    Taylor, P.R.2
  • 58
    • 0347938964 scopus 로고    scopus 로고
    • note
    • 2CO, CO, and •OH. However, CBS-QB3 predicts this transition structure to be 7.4 kcal/mol higher in energy than TS13.
  • 59
    • 0347308761 scopus 로고    scopus 로고
    • note
    • Interestingly, in their experimental study of vinoxy oxidation, Lorenz et al. (ref 25) report a •OH yield of 20% at ∼20 Torr. However, this result was not corrected for secondary reactions that would decrease the observed •OH yield.
  • 62
    • 0347938963 scopus 로고    scopus 로고
    • note
    • 3-transfer reactions.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.