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An Internal Invariant Reaction Pathway by the Acceleration Method

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Computational Theoretical Organic Chemistry

Part of the book series: NATO Advanced Study Institutes Series ((ASIC,volume 67))

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Abstract

This work illustrate the fact that some properties of a potential energy surface are not independent of the choice of the coordinate frame. So, the reaction pathway sometime described as a steepest descent way does not correspond to an invariant curve under coordinate transformations. Then we propose to use the concept of instantaneous internal acceleration. Our work is closely related to the one of Fukui (1). It may also be considered as an illustration of the Mezey’s lecture (2).

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References

  1. Fukui K., Kato S., Fujimoto H.: (1975) J. Amer. Chem. Soc., 97, p. 1.

    Article  CAS  Google Scholar 

  2. Mezey: This book.

    Google Scholar 

  3. Pechukas P.: (1976) J. Chem. Phys., 64, p. 1516.

    Article  CAS  Google Scholar 

  4. Murrel J.N., Laidler K.J.: (1968) Trans. Farad. Soc., 64, p. 371.

    Article  Google Scholar 

  5. McIver J.W., Komornicki Jr. A., (1972) J. Amer. Chem. Soc., 94, p. 2625.

    Article  CAS  Google Scholar 

  6. Reckinger G.: Ph. D. Thesis, UCL (In preparation).

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  7. Wilson E.B., Decius G.C., Cross P.C.: (1975) “Molecular Vibration”, McGraw-Hill, London.

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  8. Tachibana A., Fukui K.: (1978) Theoret. Chim. Acta, 42, p. 311.

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  9. Tachibana A., Fukui K.: (1979) Theoret. Chim. Acta, 51, p. 189 and p. 275.

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  10. Sana M., Reckinger G., Leroy G.: (1980) Theoret. Chim. Acta (Accepted).

    Google Scholar 

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Author information

Authors and Affiliations

  1. Laboratoire de Chimie Quantique, Bâtiment Lavoisier, Université Catholique de Louvain, Place Louis Pasteur, 1, B-1348, Louvain-la-Neuve, Belgium

    Michel SANA

Authors
  1. Michel SANA
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Editor information

Editors and Affiliations

  1. Department of Chemistry, University of Toronto, Toronto, Ontario, Canada

    I. G. Csizmadia

  2. Centre de Mécanique Ondulatoire Appliquée, Centre National de la Recherche Scientifique, Paris, France

    R. Daudel

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© 1981 D. Reidel Publishing Company, Dordrecht, Holland

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SANA, M. (1981). An Internal Invariant Reaction Pathway by the Acceleration Method. In: Csizmadia, I.G., Daudel, R. (eds) Computational Theoretical Organic Chemistry. NATO Advanced Study Institutes Series, vol 67. Springer, Dordrecht. https://doi.org/10.1007/978-94-009-8472-1_9

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  • DOI: https://doi.org/10.1007/978-94-009-8472-1_9

  • Publisher Name: Springer, Dordrecht

  • Print ISBN: 978-94-009-8474-5

  • Online ISBN: 978-94-009-8472-1

  • eBook Packages: Springer Book Archive

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