Journal
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
Volume 105, Issue 35, Pages 12649-12653Publisher
NATL ACAD SCIENCES
DOI: 10.1073/pnas.0800088105
Keywords
chemical reactions; quantum chemistry; quantum dynamics
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Funding
- Engineering and Physical Sciences Research Council
- Office of Naval Research [N00014-05-1-0460]
- Engineering and Physical Sciences Research Council [EP/E009824/1] Funding Source: researchfish
- EPSRC [EP/E009824/1] Funding Source: UKRI
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This perspective discusses progress in the theory of bimolecular reaction dynamics in the gas phase. The examples selected show that definitive quantum dynamical computations are providing insights into the detailed mechanisms of chemical reactions.
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