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MGLC4
Main Group 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) |
1 | Li | 3.451 |
2 | Na | 4.210 |
3 | K | 5.212 |
4 | Al | 4.020 |
Subsets:
- SSLC18 data: all data in this database, ILC5, TMLC4 plus 1, 2, 3, 4, 14 in SLC34.