International Journal of Hydrogen Energy · 2013 · 18 citations · 40 references
Natural SciencesChemistryMaterials ScienceCrystal StructureMaterials ChemistryPhysical ChemistryAb Initio MethodsCrystal ChemistryCrystallographyElectronic StructureInfrared SpectroscopyMolecular Orbital TheoryElectronic Structure AnalysisElectronic Structure SimulationTransition State Structure
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Projector augmented-wave method
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<i>Ab initio</i>molecular dynamics for liquid metals
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Natural Sciences, Chemistry, Physics +17