DLPGEN: Preparing Molecular Dynamics Simulations with Support for Polarizable Force Fields
Author:
Affiliation:
1. Centro de Química Estrutural, Institute of Molecular Sciences, Faculdade de Ciências, Universidade de Lisboa, Campo Grande, Lisboa 1749-016, Portugal
Funder
European Regional Development Fund
Funda??o para a Ci?ncia e a Tecnologia
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.1c01431
Reference42 articles.
1. Modeling Halogen Bonds in Ionic Liquids: A Force Field for Imidazolium and Halo-Imidazolium Derivatives
2. Evaluation of the OPLS-AA Force Field for the Study of Structural and Energetic Aspects of Molecular Organic Crystals
3. Modeling the structure and thermodynamics of ferrocenium-based ionic liquids
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