Origin of the Energy Barrier to Chemical Reactions ofO2on Al(111): Evidence for Charge Transfer, Not Spin Selection

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Quantum mechanical embedding theory based on a unique embedding potential

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Deleterious Effects of Long-Range Self-Repulsion on the Density Functional Description of O2Sticking on Aluminum†

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Interaction of Dioxygen with Al Clusters and Al(111):  A Comparative Theoretical Study

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