A review of methods for the calculation of solution free energies and the modelling of systems in solution

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A review of methods for the calculation of solution free energies and the modelling of systems in solution is …
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scholarly articleQ13442814
review articleQ7318358

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P356DOI10.1039/C5CP00288E
P8608Fatcat IDrelease_3lx6xtc6eje73g7kfkivybn7pq
P698PubMed publication ID25660403

P50authorTanja van MourikQ64496207
John Blayney Owen MitchellQ64861765
Rachael Elaine SkynerQ95989345
James L. McDonaghQ47474664
P2093author name stringC R Groom
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Fast Computation of Solvation Free Energies with Molecular Density Functional Theory: Thermodynamic-Ensemble Partial Molar Volume Corrections.Q45350690
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Benchmarking the Conductor-like Polarizable Continuum Model (CPCM) for Aqueous Solvation Free Energies of Neutral and Ionic Organic Molecules.Q46022485
Solubility challenge: can you predict solubilities of 32 molecules using a database of 100 reliable measurements?Q46553438
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Toward a universal model to calculate the solvation thermodynamics of druglike molecules: the importance of new experimental databases.Q51564209
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P433issue9
P407language of work or nameEnglishQ1860
P1104number of pages18
P304page(s)6174-6191
P577publication date2015-03-07
P1433published inPhysical Chemistry Chemical PhysicsQ3018671
P1476titleA review of methods for the calculation of solution free energies and the modelling of systems in solution
P478volume17

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