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Is Charge Scaling Really Mandatory when Developing Fixed-Charge Atomistic Force Fields for Deep Eutectic Solvents?
Chaumont, Alain, Engler, Etienne, Schurhammer, RachelJournal:
The Journal of Physical Chemistry B
DOI:
10.1021/acs.jpcb.0c04907
Date:
July, 2020
File:
PDF, 832 KB
2020