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Connaire McCready
Mr
Doctor of Philosophy
,
Chemical And Process Engineering
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(2)
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1
Article
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Research output per year
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2024
Quantifying the uncertainty of force field selection on adsorption predictions in MOFs
McCready, C.
, Sladekova, K.,
Conroy, S.
, Gomes, J. R. B.,
Fletcher, A. J.
&
Jorge, M.
,
11 Jun 2024
,
In:
Journal of Chemical Theory and Computation .
20
,
11
,
p. 4869-4884
16 p.
Research output
:
Contribution to journal
›
Article
›
peer-review
Open Access
File
Fields
100%
Adsorption
100%
Prediction
100%
Metal-Organic Framework
100%
Adsorption Isotherm
40%
5
Citations (Scopus)
21
Downloads (Pure)