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Volumn 101, Issue 15, 1997, Pages 2750-2752

Thermal rates of hydrogen exchange of methane with zeolite: A direct ab initio dynamics study on the importance of quantum tunneling effects

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EID: 0000027430     PISSN: 15206106     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp963242n     Document Type: Article
Times cited : (43)

References (34)
  • 10
    • 0002000203 scopus 로고
    • Generalized transition state theory
    • Baer, M., Ed.; CRC Press: Boca Raton, FL
    • Truhlar, D. G.; Isaacson, A. D.; Garrett, B. C. Generalized transition state theory. In Theory of Chemical Reaction Dynamics; Baer, M., Ed.; CRC Press: Boca Raton, FL, 1985; Vol. 4, pp 65-137.
    • (1985) Theory of Chemical Reaction Dynamics , vol.4 , pp. 65-137
    • Truhlar, D.G.1    Isaacson, A.D.2    Garrett, B.C.3
  • 11
    • 0001432896 scopus 로고
    • Dynamical formulation of transition state theory: Variational transition states and semiclassical tunneling
    • Bertran, J., Csizmadia, I. G., Eds.; Kluwer: Dordrecht, The Netherlands
    • Tucker, S. C.; Truhlar, D. G. Dynamical formulation of transition state theory: Variational transition states and semiclassical tunneling. In New Theoretical Concepts for Understanding Organic Reactions; Bertran, J., Csizmadia, I. G., Eds.; Kluwer: Dordrecht, The Netherlands, 1989; pp 291-346.
    • (1989) New Theoretical Concepts for Understanding Organic Reactions , pp. 291-346
    • Tucker, S.C.1    Truhlar, D.G.2
  • 15
    • 0000775656 scopus 로고
    • Direct dynamics method for the calculation of reaction rates
    • Heidrich, D., Ed.; Kluwer Academic:Dordrecht, The Netherlands
    • Truhlar, D. G. Direct dynamics method for the calculation of reaction rates. In The Reaction Path in Chemistry: Current Approaches and Perspectives; Heidrich, D., Ed.; Kluwer Academic:Dordrecht, The Netherlands, 1995; pp 229.
    • (1995) The Reaction Path in Chemistry: Current Approaches and Perspectives , pp. 229
    • Truhlar, D.G.1
  • 18
    • 1542474535 scopus 로고    scopus 로고
    • Direct ab initio dynamics methods for calculating thermal rates of polyatomic reactions
    • Laird, B. B., Ross, R. B., Ziegler, T., Eds.; American Chemical Society: Washington, DC
    • Truong, T. N.; Duncan, W. T.; Bell, R. L. Direct ab initio dynamics methods for calculating thermal rates of polyatomic reactions. In Chemical Applications of Density Fucntional Theory; Laird, B. B., Ross, R. B., Ziegler, T., Eds.; American Chemical Society: Washington, DC, 1996; Vol 629, pp 85.
    • (1996) Chemical Applications of Density Fucntional Theory , vol.629 , pp. 85
    • Truong, T.N.1    Duncan, W.T.2    Bell, R.L.3


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.