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Acceleration vs Accuracy: Influence of Basis Set Quality on the Mechanism and Dynamics Predicted by Ab Initio Molecular Dynamics
Yamijala, Sharma S.R.K.C., Ali, Zulfikhar A., Wong, Bryan M.Language:
english
Journal:
The Journal of Physical Chemistry C
DOI:
10.1021/acs.jpcc.9b03554
Date:
September, 2019
File:
PDF, 1012 KB
english, 2019