AIChE Journal · 2006 · 751 citations · 0 references
Natural SciencesChemistryMedicinal ChemistryPhysical ChemistryQuantum ChemistryThermodynamicsChemical ThermodynamicsDensity Functional TheoryMolecular ThermodynamicsPhase EquilibriaStatistical MechanicsThermodynamics Of Phase EquilibriaFirst-principles ThermodynamicsNon-equilibrium ChemistryNon-ideal Solution ThermodynamicsPhase Equilibria SimulationPhysicochemical Property ModelingQuantum Mechanical Solvation ModelsThermodynamic Property Prediction