Resum
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.
Idioma original | Anglès |
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Pàgines (de-a) | 143-150 |
Revista | Theoretical Chemistry Accounts |
Volum | 99 |
Número | 3 |
DOIs | |
Estat de la publicació | Publicada - 1 de gen. 1998 |