Performance of 12 DFT Functionals in the Study of Crystal Systems: Al2SiO5 Orthosilicates and Al Hydroxides as a Case Study
| Main Authors: | , , , |
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| Format: | Journal Article |
| Published: |
John Wiley & Sons Inc
2010
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| Online Access: | http://hdl.handle.net/20.500.11937/17775 |
| _version_ | 1848749554771427328 |
|---|---|
| author | Demichelis, Raffaella Civalleri, B. D'Arco, P. Dovesi, R. |
| author_facet | Demichelis, Raffaella Civalleri, B. D'Arco, P. Dovesi, R. |
| author_sort | Demichelis, Raffaella |
| building | Curtin Institutional Repository |
| collection | Online Access |
| first_indexed | 2025-11-14T07:22:47Z |
| format | Journal Article |
| id | curtin-20.500.11937-17775 |
| institution | Curtin University Malaysia |
| institution_category | Local University |
| last_indexed | 2025-11-14T07:22:47Z |
| publishDate | 2010 |
| publisher | John Wiley & Sons Inc |
| recordtype | eprints |
| repository_type | Digital Repository |
| spelling | curtin-20.500.11937-177752017-05-30T08:06:49Z Performance of 12 DFT Functionals in the Study of Crystal Systems: Al2SiO5 Orthosilicates and Al Hydroxides as a Case Study Demichelis, Raffaella Civalleri, B. D'Arco, P. Dovesi, R. 2010 Journal Article http://hdl.handle.net/20.500.11937/17775 John Wiley & Sons Inc restricted |
| spellingShingle | Demichelis, Raffaella Civalleri, B. D'Arco, P. Dovesi, R. Performance of 12 DFT Functionals in the Study of Crystal Systems: Al2SiO5 Orthosilicates and Al Hydroxides as a Case Study |
| title | Performance of 12 DFT Functionals in the Study of Crystal Systems: Al2SiO5 Orthosilicates and Al Hydroxides as a Case Study |
| title_full | Performance of 12 DFT Functionals in the Study of Crystal Systems: Al2SiO5 Orthosilicates and Al Hydroxides as a Case Study |
| title_fullStr | Performance of 12 DFT Functionals in the Study of Crystal Systems: Al2SiO5 Orthosilicates and Al Hydroxides as a Case Study |
| title_full_unstemmed | Performance of 12 DFT Functionals in the Study of Crystal Systems: Al2SiO5 Orthosilicates and Al Hydroxides as a Case Study |
| title_short | Performance of 12 DFT Functionals in the Study of Crystal Systems: Al2SiO5 Orthosilicates and Al Hydroxides as a Case Study |
| title_sort | performance of 12 dft functionals in the study of crystal systems: al2sio5 orthosilicates and al hydroxides as a case study |
| url | http://hdl.handle.net/20.500.11937/17775 |