SEARCH Articles Figures Tables Assessing the Fraction of Boroxol Rings from First-Principles Boroxol Rings in Crystalline Structures Predictions of New B2O3 Polymorphs from First-Principles Differentiation from first principle Electrocatalytic reaction systems from first principles Electronic Structure of Naked, Ligated and Supported Transition Metal Clusters from First Principles Density Functional Calculations First principle From First Principles - No Indexing from first principles Molten Salts from First Principles to Material Properties Predictions from First Principles Property Determination from First Principles Radial distribution functions from first principle Structure solution from first principle