Volume 212, 2018

Spiers Memorial Lecture

Introductory lecture: quantum dynamics of chemical reactions

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.

Graphical abstract: Spiers Memorial Lecture Introductory lecture: quantum dynamics of chemical reactions

Associated articles

Article information

Article type
Paper
Submitted
06 8月 2018
Accepted
14 8月 2018
First published
14 8月 2018

Faraday Discuss., 2018,212, 9-32

Spiers Memorial Lecture

D. C. Clary, Faraday Discuss., 2018, 212, 9 DOI: 10.1039/C8FD00131F

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