메뉴 건너뛰기




Volumn 120, Issue 13, 2004, Pages 6019-6027

Theoretical studies on dynamics and thermochemistry of the reactions CF3CHCl2+Cl→CF3CCl2+HCl and CF3CHFCl+Cl→CF3CFCl+HCl

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION ENERGY; CHEMICAL BONDS; CHLOROFLUOROCARBONS; ELECTRON TRANSITIONS; ENTHALPY; POTENTIAL ENERGY; PROBABILITY DENSITY FUNCTION; SUBSTITUTION REACTIONS;

EID: 1942490138     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.1651475     Document Type: Article
Times cited : (6)

References (43)
  • 9
    • 36449008916 scopus 로고    scopus 로고
    • R. L. Bell and T. N. Truong, J. Chem. Phys. 101, 10442 (1994); T. N. Truong, W. T. Duncan, and R. L. Bell, in Chemical Applications of Density Functional Theory (American Chemical Society, Washington, DC, 1996), p. 85; D. G. Truhlar, in The Reaction Path in Chemistry: Current Approaches and Perspectives, edited by D. Heidrich (Kluwer, Dordrecht, The Netherlands, 1995), p. 229; D. G. Truhlar, B. C. Garrett, and S. J. Klippenstein, J. Phys. Chem. 100, 12771 (1996); W.-P. Hu and D. G. Truhlar, J. Am. Chem. Soc. 118, 860 (1996).
    • (1994) J. Chem. Phys. , vol.101 , pp. 10442
    • Bell, R.L.1    Truong, T.N.2
  • 10
    • 36449008916 scopus 로고    scopus 로고
    • American Chemical Society, Washington, DC
    • R. L. Bell and T. N. Truong, J. Chem. Phys. 101, 10442 (1994); T. N. Truong, W. T. Duncan, and R. L. Bell, in Chemical Applications of Density Functional Theory (American Chemical Society, Washington, DC, 1996), p. 85; D. G. Truhlar, in The Reaction Path in Chemistry: Current Approaches and Perspectives, edited by D. Heidrich (Kluwer, Dordrecht, The Netherlands, 1995), p. 229; D. G. Truhlar, B. C. Garrett, and S. J. Klippenstein, J. Phys. Chem. 100, 12771 (1996); W.-P. Hu and D. G. Truhlar, J. Am. Chem. Soc. 118, 860 (1996).
    • (1996) Chemical Applications of Density Functional Theory , pp. 85
    • Truong, T.N.1    Duncan, W.T.2    Bell, R.L.3
  • 11
    • 36449008916 scopus 로고    scopus 로고
    • edited by D. Heidrich (Kluwer, Dordrecht, The Netherlands
    • R. L. Bell and T. N. Truong, J. Chem. Phys. 101, 10442 (1994); T. N. Truong, W. T. Duncan, and R. L. Bell, in Chemical Applications of Density Functional Theory (American Chemical Society, Washington, DC, 1996), p. 85; D. G. Truhlar, in The Reaction Path in Chemistry: Current Approaches and Perspectives, edited by D. Heidrich (Kluwer, Dordrecht, The Netherlands, 1995), p. 229; D. G. Truhlar, B. C. Garrett, and S. J. Klippenstein, J. Phys. Chem. 100, 12771 (1996); W.-P. Hu and D. G. Truhlar, J. Am. Chem. Soc. 118, 860 (1996).
    • (1995) The Reaction Path in Chemistry: Current Approaches and Perspectives , pp. 229
    • Truhlar, D.G.1
  • 12
    • 0030218764 scopus 로고    scopus 로고
    • R. L. Bell and T. N. Truong, J. Chem. Phys. 101, 10442 (1994); T. N. Truong, W. T. Duncan, and R. L. Bell, in Chemical Applications of Density Functional Theory (American Chemical Society, Washington, DC, 1996), p. 85; D. G. Truhlar, in The Reaction Path in Chemistry: Current Approaches and Perspectives, edited by D. Heidrich (Kluwer, Dordrecht, The Netherlands, 1995), p. 229; D. G. Truhlar, B. C. Garrett, and S. J. Klippenstein, J. Phys. Chem. 100, 12771 (1996); W.-P. Hu and D. G. Truhlar, J. Am. Chem. Soc. 118, 860 (1996).
    • (1996) J. Phys. Chem. , vol.100 , pp. 12771
    • Truhlar, D.G.1    Garrett, B.C.2    Klippenstein, S.J.3
  • 13
    • 0029713761 scopus 로고    scopus 로고
    • R. L. Bell and T. N. Truong, J. Chem. Phys. 101, 10442 (1994); T. N. Truong, W. T. Duncan, and R. L. Bell, in Chemical Applications of Density Functional Theory (American Chemical Society, Washington, DC, 1996), p. 85; D. G. Truhlar, in The Reaction Path in Chemistry: Current Approaches and Perspectives, edited by D. Heidrich (Kluwer, Dordrecht, The Netherlands, 1995), p. 229; D. G. Truhlar, B. C. Garrett, and S. J. Klippenstein, J. Phys. Chem. 100, 12771 (1996); W.-P. Hu and D. G. Truhlar, J. Am. Chem. Soc. 118, 860 (1996).
    • (1996) J. Am. Chem. Soc. , vol.118 , pp. 860
    • Hu, W.-P.1    Truhlar, D.G.2
  • 22
    • 0345491105 scopus 로고    scopus 로고
    • C. Lee, W. Yang, and R. G. Parr, Phys. Rev. B 37, 785 (1998); B. Miehlich, A. Savin, and H. Preuss, Chem. Phys. Lett. 157, 200 (1989).
    • (1998) Phys. Rev. B , vol.37 , pp. 785
    • Lee, C.1    Yang, W.2    Parr, R.G.3
  • 26
    • 1942497380 scopus 로고    scopus 로고
    • IUPAC, http://www.iupac.org/reports/1999/7110minkin/i.html
  • 28
    • 0001674168 scopus 로고
    • B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); J. Am. Chem. Soc. 101, 4534 (1979); B. C. Garrett, D. G. Truhlar, R. S. Grev, and A. W. Magnuson, J. Phys. Chem. 84, 1730 (1980).
    • (1979) J. Chem. Phys. , vol.70 , pp. 1593
    • Garrett, B.C.1    Truhlar, D.G.2
  • 29
    • 33845559335 scopus 로고
    • B. C. Garrett and D. G. Truhlar, J. Chem. Phys. 70, 1593 (1979); J. Am. Chem. Soc. 101, 4534 (1979); B. C. Garrett, D. G. Truhlar, R. S. Grev, and A. W. Magnuson, J. Phys. Chem. 84, 1730 (1980).
    • (1979) J. Am. Chem. Soc. , vol.101 , pp. 4534
  • 33
    • 84986492909 scopus 로고
    • D. G. Truhlar, J. Comput. Chem. 12, 266 (1991); Y. Y. Chuang and D. G. Truhlar, J. Chem. Phys. 112, 1221 (2000).
    • (1991) J. Comput. Chem. , vol.12 , pp. 266
    • Truhlar, D.G.1
  • 36
    • 1942529222 scopus 로고
    • JANAF, 1985, Vol. 14, Suppl. 1.
    • (1985) JANAF , vol.14 , Issue.SUPPL. 1


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.