CrystEngComm · 2019 · 22 citations · 58 references
Natural SciencesChemistryMaterials ScienceCrystal StructureInorganic ChemistryPhysical ChemistryCrystal ChemistryIntermolecular ForcesSurface EnergeticsSurface EnergySurface PhysicsSurface ThermodynamicsAb Initio Potential Energy SurfacesCrystal Lattice EnergeticsCrystal Surface EnergyMolecular Potential Energy SurfacesPerchlorate SaltsSurface Energy AnalysisSurface Energy CalculationSurface Energy Components
Surface energy is an important parameter to predict the morphology of ammonium perchlorate (AP) crystals in the presence and absence of ethylene glycol as a linear correlation is found between the interaction energies and the surface energies.
58
From molecules to solids with the DMol3 approach
B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text
Natural Sciences, Chemistry, Physics +12