SOME FUNDAMENTAL QUESTIONS IN CHEMICAL-REACTIVITY

Authors
BERTRAN J
Citation
J. Bertran, SOME FUNDAMENTAL QUESTIONS IN CHEMICAL-REACTIVITY, Theoretical chemistry accounts, 99(3), 1998, pp. 143-150
Citations number
130
Categorie Soggetti
Chemistry Physical
Journal title
Theoretical chemistry accounts → ACNP
ISSN journal
1432881X
Volume
99
Issue
3
Year of publication
1998
Pages
143 - 150
Database
ISI
SICI code
1432-881X(1998)99:3<143:SFQIC>2.0.ZU;2-G
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 mecha nics methods; (4) solvent effects; (5) S(N)2 reactions; (6) dynamics s imulations; (7) proton-transfer reactions; and (8) femtochemistry.