메뉴 건너뛰기




Volumn 106, Issue 47, 2002, Pages 11581-11593

One-electron reduction of substituted chlorinated methanes as determined from ab initio electronic structure theory

Author keywords

[No Author keywords available]

Indexed keywords

ALDEHYDES; CHLORINATION; DEGRADATION; ELECTRONIC STRUCTURE; FREE RADICALS; NEGATIVE IONS; SUBSTITUTION REACTIONS;

EID: 0037191537     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp021327k     Document Type: Article
Times cited : (19)

References (126)
  • 2
    • 0003363438 scopus 로고    scopus 로고
    • Neutral thermochemical data
    • Linstrom, P.J., Mallard, W.G., Eds.; Number 69; National Institute of Standards and Technology: Gaithersburg, MD, 20899
    • Afeefy, H.Y.; Liebman, J.F.; Stein, S.E. In Neutral Thermochemical Data; Linstrom, P.J., Mallard, W.G., Eds.; NIST Standard Reference Database Number 69; National Institute of Standards and Technology: Gaithersburg, MD, 20899 (http://webbook.nist.gov), 2001; Vol. 2001.
    • (2001) NIST Standard Reference Database , vol.2001
    • Afeefy, H.Y.1    Liebman, J.F.2    Stein, S.E.3
  • 4
    • 0000253662 scopus 로고
    • Halogenated alkanes
    • Anders, M.W., Ed.; Academic: New York
    • Anders, M.W.; Pohl, L.R. Halogenated Alkanes. In Bioactivation of Foreign Compounds; Anders, M.W., Ed.; Academic: New York, 1985; pp 283-315.
    • (1985) Bioactivation of Foreign Compounds , pp. 283-315
    • Anders, M.W.1    Pohl, L.R.2
  • 10
    • 0001925878 scopus 로고
    • Lipkowitz, K.B., and D.B. Boyd, Ed.; VCH Publishers: New York; pp Chapt 2
    • Bartlett, R.J., and J.F. Stanton. In Reviews of Computational Chemistry; Lipkowitz, K.B., and D.B. Boyd, Ed.; VCH Publishers: New York, 1995; pp Chapt 2, p 65.
    • (1995) Reviews of Computational Chemistry , pp. 65
    • Bartlett, R.J.1    Stanton, J.F.2
  • 44
    • 0007136498 scopus 로고    scopus 로고
    • as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multpprogram laboratory operated by Battelle Memorial Institue for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information
    • Feller, D.; Schuchardt, K. Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 9/12/01, as developed and distributed by the Molecular Science Computing Facility, Environmental and Molecular Sciences Laboratory, which is part of the Pacific Northwest Laboratory, P.O. Box 999, Richland, WA 99352, and funded by the U.S. Department of Energy. The Pacific Northwest Laboratory is a multpprogram laboratory operated by Battelle Memorial Institue for the U.S. Department of Energy under contract DE-AC06-76RLO 1830. Contact David Feller or Karen Schuchardt for further information.
    • Basis sets were obtained from the Extensible Computational Chemistry Environment Basis Set Database, Version 9/12/01
    • Feller, D.1    Schuchardt, K.2
  • 50
    • 0000165520 scopus 로고
    • Gregory, N.L. Nature 1966, 212, 1460-1461.
    • (1966) Nature , vol.212 , pp. 1460-1461
    • Gregory, N.L.1
  • 64
    • 0002228121 scopus 로고
    • Theoretical studies of solvated electrons
    • Hart, E.J., Ed.; American Chemical Society Publications: Washington, DC
    • Jortner, J.; Rice, S.A. Theoretical Studies of Solvated Electrons. In Solvated Electron; Hart, E.J., Ed.; American Chemical Society Publications: Washington, DC, 1965; Vol. 50, pp 7-26.
    • (1965) Solvated Electron , vol.50 , pp. 7-26
    • Jortner, J.1    Rice, S.A.2
  • 66
    • 84962342380 scopus 로고    scopus 로고
    • Understanding the sensitivity of nucleation kinetics: A case study on water
    • Kathmann, S.M.; Schenter, G.S.; Garrett, B.C. Understanding the Sensitivity of Nucleation Kinetics: A Case Study on Water. Submitted to J. Chem. Phys..
    • J. Chem. Phys.
    • Kathmann, S.M.1    Schenter, G.S.2    Garrett, B.C.3
  • 113
    • 0001983968 scopus 로고    scopus 로고
    • Heats of formation of organic free radicals by kinetic methods
    • Martinho Simoes, J.A., Greenberg, A., Liebman, J.F., Eds.; Blackie Academic and Professional: London
    • Tsang, W. Heats of Formation of Organic Free Radicals by Kinetic Methods. In Energetics of Organic Free Radicals; Martinho Simoes, J.A., Greenberg, A., Liebman, J.F., Eds.; Blackie Academic and Professional: London, 1996; pp 22-58.
    • (1996) Energetics of Organic Free Radicals , pp. 22-58
    • Tsang, W.1
  • 124
    • 0002026088 scopus 로고
    • Henry's law constant for compounds in water
    • Yaws, C.L., Ed.; Gulf Publishing Co.: Houston, TX
    • Yaws, C.L.; Yang, H.-C. Henry's law constant for compounds in water. In Thermodynamic and Physical Property Data; Yaws, C.L., Ed.; Gulf Publishing Co.: Houston, TX, 1992; pp 181-206.
    • (1992) Thermodynamic and Physical Property Data , pp. 181-206
    • Yaws, C.L.1    Yang, H.-C.2


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.