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orbital overlap
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1 Harmonizing the Electronic Structures of the Adsorbate and Catalysts for Efficient CO Reduction.
2 5-Fold symmetry in superatomic scandium clusters: exploiting favourable orbital overlap to sequester spin.
3 Crystal orbital overlap population based on all-electron ab initio simulation with numeric atom-centered orbitals and its application to chemical-bonding analysis in Li-intercalated layered materials
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