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Volumn 965, Issue 2-3, 2011, Pages 268-274

Kinetics and thermochemistry of the gas-phase reactions of 4-ethylpyridine with OH radical: A DFT study

Author keywords

4 Kthylpyridine; Addition; DFT; Hydrogen abstraction; Kinetics; OH radical

Indexed keywords


EID: 84855162463     PISSN: 2210271X     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.comptc.2010.12.015     Document Type: Article
Times cited : (13)

References (45)
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    • ATSDR Toxicological Profile, Parts 4 and 5
    • ATSDR Toxicological Profile, Parts 4 and 5.
  • 24
    • 85031205325 scopus 로고    scopus 로고
    • GAUSSIAN 03, Revision C.01, Gaussian Inc., Wallingford, CT
    • M.J. Frisch et al., GAUSSIAN 03, Revision C.01, Gaussian Inc., Wallingford, CT, 2004.
    • (2004)
    • Frisch, M.J.1
  • 25
    • 84867558399 scopus 로고    scopus 로고
    • 3rd ed., Pearson Education, Delhi
    • K.J. Laidler, Chemical Kinetics, 3rd ed., Pearson Education, Delhi, 2004.
    • (2004) Chemical Kinetics
    • Laidler, K.J.1
  • 27
    • 85031209133 scopus 로고    scopus 로고
    • The Transmission Coefficient C(T) was Estimated from our own Fortran Program. Numerical Integration was Performed using Trapezoidal Algorithm with a Step-size of 0.000025 and 800000 Steps
    • The Transmission Coefficient C(T) was Estimated from our own Fortran Program. Numerical Integration was Performed using Trapezoidal Algorithm with a Step-size of 0.000025 and 800000 Steps.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.