Applied Catalysis B: Environmental · 2019 · 67 citations · 34 references
Natural SciencesMaterials EngineeringMaterials ScienceInorganic ChemistryPhysical ChemistryTheoretical ChemistryMetal SulfidesSulfur ChemistrySulfur DioxideSulfur OxidesSurface PhysicsCorner FeaturesDefect Chemistry In Metal SulfidesElectronic Structure Of Metal SulfidesHydrodesulfurizationSulfur Vacancy DefectsSurface Chemistry Of Metal SulfidesTransition Metal SulfidesVacancy Chemistry In Sulfides
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From molecules to solids with the DMol3 approach
B. Delley · The Journal of Chemical Physics · 2000 · 10.9K citations · Full text
Natural Sciences, Chemistry, Physics +12