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...
| Main Authors: | , , |
|---|---|
| 格式: | Journal article |
| 語言: | English |
| 出版: |
2002
|