文件名称：CH2(3B1)与NO反应的势能面和速率常数的理论计算 (2002年)
文件大小：352KB
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更新时间：2024-06-08 19:25:15
自然科学 论文
The geometries of the reactants and product for the titled reaction are optimized at CAS (3,3) +1 +2/cc-pvDZlevel. The energetics ofsome crucial points along the minimum energy path are refined byCAS(3,3) +1 +2/cc-pvTZmethod. Based on RRKMtheory,the rate