Acceleration vs. accuracy: Influence of basis set quality on the mechanism and dynamics predicted by ab initio molecular dynamics

被引：0
|
作者：
Yamijala, Sharma [1 ]
Ali, Zulfikhar [1 ]
Wong, Bryan [2 ]
机构：
[1] Univ Calif Riverside, CEE, Riverside, CA 92521 USA
[2] Univ Calif Riverside, Dept Chem & Environm Engn, Riverside, CA 92521 USA
来源：
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY | 2019年 / 258卷
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中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
408-CATL
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页数：2
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