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A process-level perspective of the impact of molecular force fields on the computational screening of MOFs for carbon capture.

Authors :
Cleeton, Conor
de Oliveira, Felipe Lopes
Neumann, Rodrigo F.
Farmahini, Amir H.
Luan, Binquan
Steiner, Mathias
Sarkisov, Lev
Source :
Energy & Environmental Science; Sep2023, Vol. 16 Issue 9, p3899-3918, 20p
Publication Year :
2023

Details

Language :
English
ISSN :
17545692
Volume :
16
Issue :
9
Database :
Complementary Index
Journal :
Energy & Environmental Science
Publication Type :
Academic Journal
Accession number :
171923249
Full Text :
https://doi.org/10.1039/d3ee00858d