Quantum chemistry of quantum size-effect
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V. S. Gurin
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Article
📅
1999
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John Wiley and Sons
🌐
English
⚖ 141 KB
👁 2 views
Ab initio RHF SCF calculations are used for some small clusters M X , x y where M s Cd, Ag; X s S, I; and x, y F 7. Variation of electronic structure with size for some clusters with the bulklike tetrahedral coordination and with the lower symmetry allows one to predict their possible geometries wh