Ionic to molecular transition in AlCl3: an examination of the electronic structure
AlCl3 crystallizes as an ionic solid but melts to form a molecular liquid consisting of Al2Cl6 units. In order to see if this transition involves a major change in electronic structure, the dimer and crystal of AlCl3 are examined with the aid of generalized gradient corrected density functional theo...
| Autors principals: | , , |
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| Format: | Journal article |
| Idioma: | English |
| Publicat: |
2002
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