Physico-chemical features of aluminum hydroxides as modeled with 2 the hybrid B3LYP functional and localized basis functions
Aluminum hydroxides (a family of seven compounds) are key raw materials in the aluminum industry, and indeed an extremely large variety of experiments and simulations was performed in the last 50 years on this class of materials. However, many of their properties still remain a matter of debate, as...
| Main Authors: | , , , , |
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| Format: | Journal Article |
| Published: |
American Chemical Society
2011
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| Online Access: | http://hdl.handle.net/20.500.11937/11875 |