A comparative study of chemisorption by density functional theory, ab initio, and semiempirical methods: carbon monoxide, formate, and acetate on Cu(110) (original) (raw)
James F . Phillips2003, Surface Science
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Related topics
Condensed Matter PhysicsQuantum PhysicsSurface ScienceCarbon MonoxideCopperDensity Functional TheorySingle crystal surfaceInfraredInfrared spectraIndexationMolecular Structure