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Development of a ReaxFF Reactive Force Field for NaSiO x /Water Systems and Its Application to Sodium and Proton Self-Diffusion
Hahn, Seung Ho, Rimsza, Jessica M., Criscenti, Louise J, Sun, Wei, Deng, Lu, Du, Jincheng, Liang, Tao, Sinnott, Susan B., van Duin, Adri C.T.Language:
english
Journal:
The Journal of Physical Chemistry C
DOI:
10.1021/acs.jpcc.8b05852
Date:
August, 2018
File:
PDF, 1.57 MB
english, 2018