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The vibrational spectrum of [alpha]-AlOOH diaspore: An ab initio study with the CRYSTAL code
- Source :
- Journal of Physical Chemistry B. August 9, 2007, Vol. 111 Issue 31, p9337, 10 p.
- Publication Year :
- 2007
-
Abstract
- The vibrational spectrum of [alpha]-AlOOH diaspore calculated at the B3LYP level of theory with a double-(symbol) quality Gaussian-type basis set by using the periodic ab initio CRYSTAL code is reported.
Details
- Language :
- English
- ISSN :
- 15206106
- Volume :
- 111
- Issue :
- 31
- Database :
- Gale General OneFile
- Journal :
- Journal of Physical Chemistry B
- Publication Type :
- Academic Journal
- Accession number :
- edsgcl.168122682