In this communication, accurate quantum dynamics calculation for the benchmark tetraatomic reaction of D2+CN on an ab initio potential energy surface is reported, and the result of the calculation is analyzed and compared to experiments. The present first principle quantum dynamics study provides fundamental insight to chemical reactions at unprecedented levels of accuracy and detail.
|Original language||English (US)|
|Number of pages||5|
|Journal||Chemical Physics Letters|
|State||Published - Jul 31 1998|
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry