Journal of Catalysis · 2019 · 30 citations · 44 references
Natural SciencesChemistryPhysicsChemical KineticsComputational ChemistryPhysical ChemistryMolecular DynamicsNonadiabatic DynamicsOxygen EvolutionReaction DynamicsReaction PathwaysReactive Oxygen SpeciesFermi LevelKinetics Of Oxygen EvolutionOxidation MechanismsOxygen Evolution MechanismOxygen Evolution ReactionOxygen Evolution Reaction KineticsReaction Pathway Modeling
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Efficient pseudopotentials for plane-wave calculations
N. Troullier, José Luı́s Martins · Physical review. B, Condensed matter · 1991 · 16.1K citations
Natural Sciences, Chemistry, Physics +14
Separable dual-space Gaussian pseudopotentials
Stefan Goedecker, M. P. Teter, Jürg Hutter · Physical review. B, Condensed matter · 1996 · 7.4K citations · Full text
Natural Sciences, Chemistry, Physics +16