The IEF version of the PCM solvation method: an overview of a new method addressed to study molecular solutes at the QM ab initio level
J. Tomasi, Benedetta Mennucci, Éric Cancès
Topics & Concepts
SolvationIsotropyDipoleNon-equilibrium thermodynamicsFormalism (music)Implicit solvationChemistryAnisotropyAb initioElectronic structureComputational chemistryStatistical physicsComputational physicsMoleculePhysicsThermodynamicsQuantum mechanicsOrganic chemistryMusicalVisual artsArtPhotochemistry and Electron Transfer StudiesNonlinear Optical Materials ResearchFree Radicals and Antioxidants