Accelerating Applications of Metal–Organic Frameworks for Gas Adsorption and Separation by Computational Screening of Materials
Author:
Affiliation:
1. School of Chemical & Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332-0100, United States
Publisher
American Chemical Society (ACS)
Subject
Electrochemistry,Spectroscopy,Surfaces and Interfaces,Condensed Matter Physics,General Materials Science
Link
https://pubs.acs.org/doi/pdf/10.1021/la301915s
Reference73 articles.
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5. UFF, a full periodic table force field for molecular mechanics and molecular dynamics simulations
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