All papers authored by James L. McDonagh
Refreshing results…
Jonathan G. M. Conn,
James W. Carter,
Justin J. A. Conn,
Vigneshwari Subramanian 
,
Andrew Baxter,
Ola Engkvist ,
Antonio Llinas ,
Ekaterina L. Ratkova,
Stephen D. Pickett ,
James L. McDonagh ,
David S. Palmer
Download from pubs.acs.org
,
Andrew Baxter,
Ola Engkvist ,
Antonio Llinas ,
Ekaterina L. Ratkova,
Stephen D. Pickett ,
James L. McDonagh ,
David S. Palmer
Download from pubs.acs.org
2019
James L. McDonagh ,
John Bo Mitchell,
David S. Palmer,
Rachael E. Skyner
,
John Bo Mitchell,
David S. Palmer,
Rachael E. Skyner
3. In Silico methods to predict solubility
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2017
James L. McDonagh ,
Arnaldo F. Silva,
Mark A. Vincent,
Paul L. A. Popelier
,
Arnaldo F. Silva,
Mark A. Vincent,
Paul L. A. Popelier
Machine Learning of Dynamic Electron Correlation Energies from Topological Atoms
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Arnaldo F. Silva,
Mark A. Vincent,
James L. McDonagh ,
Paul La A. Popelier
,
Paul La A. Popelier
The Transferability of Topologically Partitioned Electron Correlation Energies in Water Clusters
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James L. McDonagh ,
Arnaldo F. Silva,
Mark A. Vincent,
Paul L. A. Popelier
,
Arnaldo F. Silva,
Mark A. Vincent,
Paul L. A. Popelier
Quantifying Electron Correlation of the Chemical Bond
Download from www.research.manchester.ac.uk
2016
James L. McDonagh ,
David S. Palmer,
Tanja van Mourik,
John B. O. Mitchell
,
David S. Palmer,
Tanja van Mourik,
John B. O. Mitchell
Are the Sublimation Thermodynamics of Organic Molecules Predictable?
Download from strathprints.strath.ac.uk
James L. McDonagh ,
Daniel Barker,
Rosanna G. Alderson
,
Daniel Barker,
Rosanna G. Alderson
Bringing computational science to the public
Download from link.springer.com
2015
Daniel Barker,
Rosanna G. Alderson,
James L. McDonagh ,
Heleen Plaisier,
Muriel M. Comrie,
Leigh Duncan,
Gavin T. P. Muirhead,
Stuart D. Sweeney,
Rosanna G. Alderson James L. McDonagh Heleen Plaisier Muriel M. Comrie Leigh Duncan Gavin T. P. Muirhead Stuart D. Sweeney Daniel Barker
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,
Heleen Plaisier,
Muriel M. Comrie,
Leigh Duncan,
Gavin T. P. Muirhead,
Stuart D. Sweeney,
Rosanna G. Alderson James L. McDonagh Heleen Plaisier Muriel M. Comrie Leigh Duncan Gavin T. P. Muirhead Stuart D. Sweeney Daniel Barker
Download from doi.org
R. E. Skyner,
J. L. McDonagh ,
C. R. Groom,
T. van Mourik,
J. B. O. Mitchell
Download from pubs.rsc.org
,
C. R. Groom,
T. van Mourik,
J. B. O. Mitchell
Download from pubs.rsc.org
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