Born-Haber-Fajans Cycle Generalized: Linear Energy Relation between Molecules, Crystals, and Metals
Classical procedures to calculate ion-based lattice potential energies (UPOT) assume formal integral charges on the structural units; consequently, poor results are anticipated when significant covalency is present. To generalize the procedures beyond strictly ionic solids, a method is needed for ca...
| Main Authors: | , |
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| Format: | Journal Article |
| Published: |
American Chemical Society
2006
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| Online Access: | http://hdl.handle.net/20.500.11937/47136 |
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