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ILC5

Ionic Lattice Constants

The data of this database are calculated at the optimized geometry for each method.
The input files are available to download below:

  >> g09 inputs <<

For published work employing this database, please cite at least one of these articles:
Zhao, Y.; Truhlar, D. G. J. Chem. Phys. 2008, 128, 184109.
and/or
Peverati, R.; Truhlar, D. G. Phil. Trans. Royal Soc. A 2012, Submitted.
The submitted version of this article is available as a pre-print online following the link below, and can be cited using the arXiv citation format:
Peverati, R.; Truhlar, D. G. arXiv:1212.0944 [physics.chem-ph]


REF
(Angstrom)
1NaCl5.580
2NaF4.594
3LiCl5.090
4LiF3.987
5MgO4.197

Subsets: