The observation of oxygen—oxygen interactions in ice
In this article, we present a series of first principle density functional theory simulation results which have, reproduced the vibrational spectra for ice Ih and VIII obtained by neutron scattering. Detailed analysis of the pressure-dependent simulation results shows that there is an oxygen–oxygen...
| Published in: | New Journal of Physics |
|---|---|
| Main Authors: | , , |
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2016-01-01
|
| Subjects: | |
| Online Access: | https://doi.org/10.1088/1367-2630/18/2/023052 |