Charge distributions on polyatomic ions,and their relationships with cohesive energies of ionic crystals |
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| Authors: | Marcus F. C. Ladd |
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| Affiliation: | (1) Sub-Department of Chemical Physics, Department of Chemistry, University of Surrey, Guildford, Surrey, England |
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| Abstract: | Some current approaches to the determination of the charge distributions on polyatomic ions are considered. The methods involving cohesive energies of ionic solids on the one hand and those using molecular-orbital calculations on the other hand are compared and discussed. New charge distributions are presented for a series of polyatomic ions. |
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| Keywords: | Polyatomic ions Ionic crystals Lattice energy Charge distributions Cohesive energy |
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