Some fundamental questions in chemical reactivity |
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Authors: | Juan Bertrán |
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Affiliation: | (1) Departament de Química, Universitat Autònoma de Barcelona, E-08193-Bellaterra, Barcelona, Spain, ES |
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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. Received: 25 November 1997 / Accepted: 23 December 1997 |
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Keywords: | : Chemical reactivity Diels-Alder reactions␣ SN2 reactions Proton-transfer reactions |
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