Journal of the Chemical Society Chemical Communications · 1984 · 563 citations · 0 references
Natural SciencesMaterials SciencePhysicsComputational Materials SciencePhysical ChemistryTheoretical ChemistryAb Initio MethodsCrystal ChemistryInteratomic PotentialsMolecular Orbital TheorySilicate MineralogyAnalytic Interatomic PotentialsBonding GeometryInteratomic Potential ModelsOxide PolymorphsSilica-based MaterialsSilicate ChemistrySilicate Crystal Structures
Interatomic potentials, which include bond-bending terms, allow us to model accurately the properties of α-quartz and the structures of other polymorphs of SiO2.