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Accurate Force Field for Carbon Dioxide–Silica Interactions Based on Density Functional Theory.

Authors :
Godahewa, Sahan M.
Jayawardena, Thanuja
Thompson, Ward H.
Greathouse, Jeffery A.
Source :
Journal of Physical Chemistry B; 1/23/2025, Vol. 129 Issue 3, p1122-1134, 13p
Publication Year :
2025

Details

Language :
English
ISSN :
15206106
Volume :
129
Issue :
3
Database :
Supplemental Index
Journal :
Journal of Physical Chemistry B
Publication Type :
Academic Journal
Accession number :
182440455
Full Text :
https://doi.org/10.1021/acs.jpcb.4c07413