PHAHST Potential: Modeling Sorption in a Dispersion-Dominated Environment-Reference-Cited by-同舟云学术

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PHAHST Potential: Modeling Sorption in a Dispersion-Dominated Environment

Published:2024-06-18 Issue:13 Volume:20 Page:5570-5582
ISSN:1549-9618
Container-title:Journal of Chemical Theory and Computation
language:en
Short-container-title:J. Chem. Theory Comput.

Author:

Ritter Logan¹^ORCID,Tudor Brant²,Hogan Adam¹,Pham Tony³^ORCID,Space Brian¹^ORCID

Affiliation:

1. Department of Chemistry, North Carolina State University, Raleigh, North Carolina 27695, United States

2. John Hopkins School of Medicine, Anesthesiology and Critical Care Medicine, 601 Fifth Street S., Saint Petersburg, Florida 33701, United States

3. Department of Chemistry, University of South Florida, Tampa, Florida 33620, United States

Funder

Division of Chemistry

Office of Advanced Cyberinfrastructure

Division of Materials Research

Publisher

American Chemical Society (ACS)

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jctc.4c00226

Reference96 articles.

1. Next-Generation Accurate, Transferable, and Polarizable Potentials for Material Simulations

2. Extending Classical Molecular Theory with Polarization

3. POLIR: Polarizable, flexible, transferable water potential optimized for IR spectroscopy

4. Adsorption of Noble Gases on H-Mordenite

5. Metal–organic framework with optimally selective xenon adsorption and separation

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