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Structural, electronic, and dynamical properties of liquid water by ab initio molecular dynamics based on SCAN functional within the canonical ensemble
Zheng, Lixin, Chen, Mohan, Sun, Zhaoru, Ko, Hsin-Yu, Santra, Biswajit, Dhuvad, Pratikkumar, Wu, XifanVolume:
148
Language:
english
Journal:
The Journal of Chemical Physics
DOI:
10.1063/1.5023611
Date:
April, 2018
File:
PDF, 708 KB
english, 2018