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Volumn 106, Issue 46, 2002, Pages 11309-11326

Kinetics and mechanism of the OH + C6H6 reaction: A detailed analysis with first-principles calculations

Author keywords

[No Author keywords available]

Indexed keywords

ENERGETIC PARAMETERS;

EID: 0037152953     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp0211842     Document Type: Article
Times cited : (92)

References (105)
  • 51
    • 36549095692 scopus 로고
    • Gonzalez, C.; Schlegel, H.B. J. Chem. Phys. 1989, 90, 2154-2161. Gonzalez, C.; Schlegel, H.B. J. Phys. Chem. 1990, 94, 5523-5527.
    • (1989) J. Chem. Phys. , vol.90 , pp. 2154-2161
    • Gonzalez, C.1    Schlegel, H.B.2
  • 52
    • 33750614386 scopus 로고
    • Gonzalez, C.; Schlegel, H.B. J. Chem. Phys. 1989, 90, 2154-2161. Gonzalez, C.; Schlegel, H.B. J. Phys. Chem. 1990, 94, 5523-5527.
    • (1990) J. Phys. Chem. , vol.94 , pp. 5523-5527
    • Gonzalez, C.1    Schlegel, H.B.2
  • 75
    • 0000626886 scopus 로고    scopus 로고
    • NIST-JANAF thermochemical tables, 4th ed.
    • Monograph No. 9; American Chemical Society: Washington, DC
    • Chase, M.W., Jr. NIST-JANAF Thermochemical Tables, 4th ed.; In J. Phys. Chem. Ref. Data; Monograph No. 9; American Chemical Society: Washington, DC, 1998.
    • (1998) J. Phys. Chem. Ref. Data
    • Chase M.W., Jr.1
  • 90
    • 0011915854 scopus 로고    scopus 로고
    • Private communication
    • o298(OH) = 8.89 ± 0.09 kcal/mol was reported inthe initial letter; Ruscic, B.; Feller, D.; Dixon, D.A.; Peterson, K.A.; Harding, L.B.; Asher, R.L.; Wagner, A.F. J. Phys. Chem. A 2001, 105, 1-4.
    • Ruscic, B.1
  • 105
    • 0011984076 scopus 로고    scopus 로고
    • note
    • R are partition functions of TS2 and the reactants.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.