| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5391891 | Chemical Physics Letters | 2006 | 5 Pages |
Abstract
Vibrational spectra of crystalline hydrates are calculated with a DFT methodology. Comparison with experiment shows bands of hydrated protons to be very broad, the width growing with increasing number of hydration water molecules.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Beatriz Martı´n-Llorente, Delia Fernández-Torre, Vı´ctor J. Herrero, Ismael K. Ortega, Rafael Escribano, Belén Maté,