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Electronic Structure and Chemical Reactions in Solution

  • Conference paper
Reaction Dynamics in Clusters and Condensed Phases

Part of the book series: The Jerusalem Symposia on Quantum Chemistry and Biochemistry ((JSQC,volume 26))

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Abstract

A review is given of a recent theoretical approach to the issue of the title. Novel aspects of the theory include incorporation of nonequilibrium solvation, attention to time scales of the solvent electronic polarization and construction of reaction paths and free energetics. The theory is illustrated with examples of an SN2 nucleophilic displacement, SNI ionization, and an ion-radical recombination reaction.

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Author information

Author notes

  1. Hyung J. Kim

    Present address: Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, 15213-3890, USA

  2. Roberto Bianco

    Present address: Dipartimento di Chimica e Chimica Industriale, Università di Pisa, I-56126, Pisa, Italy

Authors and Affiliations

  1. Department of Chemistry and Biochemistry, University of Colorado, Boulder, CO, 80309-0215, USA

    James T. Hynes, Hyung J. Kim, Jeffery R. Mathis, Roberto Bianco, Koji Ando & Bradley J. Gertner

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  1. James T. Hynes
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  2. Hyung J. Kim
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  3. Jeffery R. Mathis
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  4. Roberto Bianco
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  5. Koji Ando
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  6. Bradley J. Gertner
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Editor information

Editors and Affiliations

  1. The Israel Academy of Sciences and Humanities, Jerusalem, Israel

    J. Jortner

  2. The Fritz Haber Center for Molecular Dynamics, The Hebrew University of Jerusalem, Jerusalem, Israel

    R. D. Levine

  3. Institut de Biologie Physico-Chimique (Fondation Edmond de Rothschild), Paris, France

    B. Pullman

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© 1994 Springer Science+Business Media Dordrecht

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Hynes, J.T., Kim, H.J., Mathis, J.R., Bianco, R., Ando, K., Gertner, B.J. (1994). Electronic Structure and Chemical Reactions in Solution. In: Jortner, J., Levine, R.D., Pullman, B. (eds) Reaction Dynamics in Clusters and Condensed Phases. The Jerusalem Symposia on Quantum Chemistry and Biochemistry, vol 26. Springer, Dordrecht. https://doi.org/10.1007/978-94-011-0786-0_21

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  • DOI: https://doi.org/10.1007/978-94-011-0786-0_21

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