| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5383193 | Chemical Physics Letters | 2012 | 5 Pages |
Abstract
⺠NMR/NQR parameters and infrared spectra of the ethanol crystal are calculated. ⺠Atomic positions from the X-ray experiment by Jonsson are included. ⺠Differences between DFT-optimized atom positions and Jonsson's ones exist. ⺠The van der Waals correction is not important.
Related Topics
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Physical and Theoretical Chemistry
Authors
M. MilinkoviÄ, G. BilalbegoviÄ,