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Spiers Memorial Lecture. Introductory lecture: quantum dynamics of chemical reactions.

Authors :
Clary DC
Source :
Faraday discussions [Faraday Discuss] 2018 Dec 13; Vol. 212 (0), pp. 9-32.
Publication Year :
2018

Abstract

This Spiers Memorial Lecture discusses quantum effects that can be calculated and observed in the chemical reactions of small molecules. This includes quantum reactive scattering resonances, vibrational and rotational state effects, and quantum tunnelling in chemical reactions. Both experimental and theoretical advances are reviewed. Of particular emphasis is a description of the development of reduced dimensional theories which can highlight chemical reactions that are likely to be of interest for more accurate quantum reactive scattering studies and new experiments. Furthermore, the reduced dimensional models allow for the development and testing of computationally inexpensive procedures that enable calculations to be performed on quantum effects in reactions of larger polyatomic molecules.

Details

Language :
English
ISSN :
1364-5498
Volume :
212
Issue :
0
Database :
MEDLINE
Journal :
Faraday discussions
Publication Type :
Academic Journal
Accession number :
30295301
Full Text :
https://doi.org/10.1039/c8fd00131f