Author/Authors :
Zhu، نويسنده , , Wei and Zhang، نويسنده , , John Z.H and Zhang، نويسنده , , D.H، نويسنده ,
Abstract :
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.
