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Rose McHardy
Miss
Doctor of Philosophy
,
Pure And Applied Chemistry
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Aqueous Solvent
Chemical Compounds
100%
Solvation
Chemical Compounds
72%
Gibbs Free Energy
Chemical Compounds
63%
Organic Solvent
Chemical Compounds
62%
Correlation Function
Chemical Compounds
44%
Solvent
Chemical Compounds
39%
Chloroform
Chemical Compounds
28%
Error
Chemical Compounds
25%
Research output
1
Article
Research output per year
Research output per year
Accurately predicting solvation free energy in aqueous and organic solvents beyond 298 K by combining deep learning and the 1D reference interaction site model
Fowles, D. J.
,
McHardy, R. G.
,
Ahmad, A.
&
Palmer, D. S.
,
1 Feb 2023
,
In:
Digital Discovery.
2
,
1
,
p. 177-188
12 p.
Research output
:
Contribution to journal
›
Article
›
peer-review
Open Access
File
Aqueous Solvent
100%
Solvation
72%
Gibbs Free Energy
63%
Organic Solvent
62%
Correlation Function
44%
1
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