Electronic continuum correction without scaled charges
Milan Předota, Denys Biriukov
Topics & Concepts
PolarizabilityDipoleIonWater modelAb initioIonic bondingChemistryElectronic structureElectrostaticsPhysicsStatistical physicsChemical physicsComputational chemistryMolecular dynamicsQuantum mechanicsMoleculeSpectroscopy and Quantum Chemical StudiesMolecular spectroscopy and chiralityElectrochemical Analysis and Applications