Effects of valence and spin of Fe in MgSiO3 melts: Structural insights from first-principles molecular dynamics simulations
Dipta B. Ghosh, Bijaya B. Karki
Topics & Concepts
Coordination numberFerrousValence (chemistry)ChemistryMolecular dynamicsSpin statesBond lengthSilicateOxidation stateFerricMössbauer spectroscopyCrystallographyChemical physicsMetalInorganic chemistryComputational chemistryIonCrystal structureOrganic chemistryGeological and Geochemical AnalysisHigh-pressure geophysics and materialsCrystal Structures and Properties