期刊
PROCEEDINGS OF THE NATIONAL ACADEMY OF SCIENCES OF THE UNITED STATES OF AMERICA
卷 105, 期 35, 页码 12649-12653出版社
NATL ACAD SCIENCES
DOI: 10.1073/pnas.0800088105
关键词
chemical reactions; quantum chemistry; quantum dynamics
资金
- 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
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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