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From molecular processes to global mechanisms of chemical transformations

1994; Volume: 98; Issue: 11 Linguagem: Inglês

10.1002/bbpc.19940981108

0005-9021

J. Troe,

Molecular Spectroscopy and Structure

Abstract Many of the founders of modern gas phase reaction kinetics were members of the Deutsche Bunsengesellschaft für Physikalische Chemie (the former Deutsche Elektrochemische Gesellschaft). The evolution of this field from its beginnings around 1894 towards today, from qualitative understanding to quantitative modelling is reviewed. The connection between global mechanisms and elementary reaction steps is exemplified by sensitivity tests. Elementary reaction rates then are related to potential energy surfaces showing intermediate energy maxima, i.e. single activated complexes, or intermediate energy minima, i.e. involving several activated complexes.