7.1. Data Curation for Atomistic Force-Field Data¶
TFE Force-Field Data Source
Metadata
Atom Types and Attributes
Potentials
7.1.1. References¶
- Jiří Vymětal and Jiří Vondrášek, “Parametrization of 2,2,2-Trifluoroethanol Based on the Generalized Amber Force Field Provides Realistic Agreement between Experimental and Calculated Properties of Pure Liquid as Well as Water-Mixed Solutions”, J. Phys. Chem. B, 118 (35), pp 10390–10404, (2014).