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Volumn 107, Issue 35, 2003, Pages 6819-6827

Comparison of gas-phase and solution-phase reactions of dimethyl sulfide and 2-(methylthio)ethanol with hydroxyl radical

Author keywords

[No Author keywords available]

Indexed keywords

DIMETHYL SULFIDE; HYDROXYL RADICAL; METHYLTHIOETHANOL;

EID: 0141742580     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp034704h     Document Type: Article
Times cited : (24)

References (77)
  • 6
    • 0003309954 scopus 로고
    • Reaction mechanisms in atmospheric chemistry: Kinetic studies of hydroxyl radical mechanisms
    • Clark, R. \J. H., Hester, \R. \E., Eds.; Wiley & Sons: New York
    • Hynes, A. J. Reaction Mechanisms in Atmospheric Chemistry: Kinetic Studies of Hydroxyl Radical Mechanisms. In Spectroscopy in Environmental Sciences; Clark, R. \J. H., Hester, \R. \E., Eds.; Wiley & Sons: New York, 1995.
    • (1995) Spectroscopy in Environmental Sciences
    • Hynes, A.J.1
  • 29
    • 0033963034 scopus 로고    scopus 로고
    • Molden: A pre- and post-processing program for molecular and electronic structures
    • Schaftenaar, G.; Noordik, J. H. Molden: A pre- and post-processing program for molecular and electronic structures. J. Comput.-Aided Mol. Design 2000, 14, 123.
    • (2000) J. Comput.-Aided Mol. Design , vol.14 , pp. 123
    • Schaftenaar, G.1    Noordik, J.H.2
  • 44
    • 84961986752 scopus 로고    scopus 로고
    • note
    • CPCM is a conductor-like screening solvation model (COSMO) with a continuum polarizable description of solvent that takes into account both electrostatic and van der Waals contributions. Solvation energies were estimated for water (ε = 78.39). (a) Cossi, M.; Scalmani, G.; Rega, N.; Barone, V. J. Chem. Phys. 2002, 117, 43.
    • (2002) J. Chem. Phys. , vol.117 , pp. 43
    • Cossi, M.1    Scalmani, G.2    Rega, N.3    Barone, V.4
  • 60
    • 33750980336 scopus 로고
    • note
    • A similar value of ΔG(solv) = -2.4 kcal/mol for OH is reported. Schwarz, H. A.; Dodson, R. W. J. Phys. Chem. 1984, 88, 3643.
    • (1984) J. Phys. Chem. , vol.88 , pp. 3643
    • Schwarz, H.A.1    Dodson, R.W.2
  • 69
    • 0141553995 scopus 로고    scopus 로고
    • note
    • The MP2 method systematically underestimates the 2c-3e bond distance (see ref 33).
  • 72
    • 0041102734 scopus 로고    scopus 로고
    • note
    • The average S-H hydrogen bond distance is 1.9-2.0 Å; See: Steiner, T. Chem. Commun. 1998, 411.
    • (1998) Chem. Commun. , pp. 411
    • Steiner, T.1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.