PROCESSES IN THE LIQUID-PHASE AND COMPUTE R EXPERIMENTS - FROM PHYSICS TO CHEMISTRY

Citation
P. Jungwirth et R. Zahradnik, PROCESSES IN THE LIQUID-PHASE AND COMPUTE R EXPERIMENTS - FROM PHYSICS TO CHEMISTRY, Chemicke listy, 88(2), 1994, pp. 69-76
Citations number
26
Categorie Soggetti
Chemistry
Journal title
ISSN journal
00092770
Volume
88
Issue
2
Year of publication
1994
Pages
69 - 76
Database
ISI
SICI code
0009-2770(1994)88:2<69:PITLAC>2.0.ZU;2-W
Abstract
Although the majority of experimentally interesting processes takes pl ace in the condensed phase, theoretical chemists prefer to deal with g as phase reactions because of the relative complexity of the former an d simplicity of the latter topic. Only recently, with the help of comp uter simulations, theoreticians have started to achieve a realistic de scripton of liquid state processes. It is shown in this paper how our knowledge gradually develops from the understanding of classical physi cal solute-solvent interactions towards a semi-quantum description of chemical reactivity in the liquid phase.