Published 2024
| Version v2
Dataset
Open
Investigating the properties of fatty acid-based ionic liquids: Advancement in AMOEBA force field
Authors/Creators
- 1. The University of Texas at Dallas, Chemistry & Biochemistry
- 2. The University od Texas at Dallas, Chemistry & Biochemistry
Description
Input, parameter and initial structure files for All Atom Molecular Dynamics simulations performed to validate the newly developed parameters and predict the properties of FA-IL systems are available in zip file.
Notes
This work was supported by the donors of ACS Petroleum Research Fund under Doctoral New Investigator Grant 66715-DNI6. H.T. served as Principal Investigator on ACS PRF 66715-DNI6 that provided support for S.H.
Files
FA-IL-MDrun2.zip
Files
(956.9 kB)
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md5:d776db363ad0baa51dda6ef384135133
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