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Volumn 108, Issue 52, 2004, Pages 11651-11663

Unimolecular decomposition of β-hydroxyethylperoxy radicals in the HȮ-initiated oxidation of ethene: A theoretical study

Author keywords

[No Author keywords available]

Indexed keywords

FORMALDEHYDE; HYDROCARBONS; HYDROGEN BONDS; OXIDATION; PETROCHEMICALS; PROBABILITY DENSITY FUNCTION; QUANTUM THEORY; TROPOSPHERE;

EID: 11344273767     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp045944f     Document Type: Article
Times cited : (23)

References (50)
  • 2
    • 0000430815 scopus 로고
    • Atmospheric distribution and sources of nonmethane hydrocarbons
    • Nriagu, J. O., Ed.; John Wiley: New York
    • Singh, H. B.; Zimmerman, P. R. Atmospheric distribution and sources of nonmethane hydrocarbons. In. Gaseous Pollutants: Characterization and Cycling; Nriagu, J. O., Ed.; John Wiley: New York, 1992; pp 177-235.
    • (1992) Gaseous Pollutants: Characterization and Cycling , pp. 177-235
    • Singh, H.B.1    Zimmerman, P.R.2
  • 49
    • 11344264090 scopus 로고    scopus 로고
    • note
    • For instance, at the UCCSD(T)/6-311 - G(3df,2p)//B3LYP/6-31G(d,p) level, α-hydroxyethyl radical is calculated to be 10.4 kcal/mol less energetic than ethoxy radical.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.