A Polarizable and Transferable PHAST N2 Potential for Use in Materials Simulation
Author:
Affiliation:
1. Department of Chemistry, University of South Florida, 4202 E. Fowler Ave., CHE205, Tampa, Florida 33620-5250, United States
2. Lawrence Livermore National Laboratory, 7000 East Ave., Livermore, California 94550, United States
Funder
National Science Foundation
Publisher
American Chemical Society (ACS)
Subject
Physical and Theoretical Chemistry,Computer Science Applications
Link
https://pubs.acs.org/doi/pdf/10.1021/ct400526a
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5. Modular Chemistry: Secondary Building Units as a Basis for the Design of Highly Porous and Robust Metal−Organic Carboxylate Frameworks
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