Thursday, October 03, 2019

[ASAP] Acceleration vs Accuracy: Influence of Basis Set Quality on the Mechanism and Dynamics Predicted by Ab Initio Molecular Dynamics

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The Journal of Physical Chemistry C
DOI: 10.1021/acs.jpcc.9b03554


from The Journal of Physical Chemistry C: Latest Articles (ACS Publications) https://ift.tt/2OfG5hc
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