Improving predictions of solvation free energies from non-polarisable models by applying polarisation corrections
MC Barrera - 2021 - stax.strath.ac.uk
Classical non-polarisable models, normally based on a combination of Lennard-Jones (LJ)
sites and point charges, are extensively used to model thermodynamic properties of fluids …
sites and point charges, are extensively used to model thermodynamic properties of fluids …
[PDF][PDF] Improving Predictions of Solvation Free Energies from Non-Polarisable Models by Applying Polarisation Corrections
MC Barrera, M Jorge - 2021 - stax.strath.ac.uk
Classical non-polarisable models, normally based on a combination of Lennard-Jones (LJ)
sites and point charges, are extensively used to model thermodynamic properties of fluids …
sites and point charges, are extensively used to model thermodynamic properties of fluids …
[PDF][PDF] Improving Predictions of Solvation Free Energies from Non-Polarisable Models by Applying Polarisation Corrections
MC Barrera, M Jorge - 2021 - scholar.archive.org
Classical non-polarisable models, normally based on a combination of Lennard-Jones (LJ)
sites and point charges, are extensively used to model thermodynamic properties of fluids …
sites and point charges, are extensively used to model thermodynamic properties of fluids …