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Theoretical Chemistry Accounts

, Volume 99, Issue 3, pp 143–150 | Cite as

Some fundamental questions in chemical reactivity

  • Juan Bertrán
Overview

Abstract.

This paper provides an overview of recent progress on some fundamental questions in chemical reactivity. The following issues are emphasized: (1) the choice of electronic structure level for dynamics study; (2) Diels-Alder reactions; (3) combined molecular orbital/molecular mechanics methods; (4) solvent effects; (5) SN2 reactions; (6) dynamics simulations; (7) proton-transfer reactions; and (8) femtochemistry.

Key words: Chemical reactivity Diels-Alder reactions␣ SN2 reactions Proton-transfer reactions 

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Copyright information

© Springer-Verlag Berlin Heidelberg 1998

Authors and Affiliations

  • Juan Bertrán
    • 1
  1. 1.Departament de Química, Universitat Autònoma de Barcelona, E-08193-Bellaterra, Barcelona, SpainES

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