| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 5379166 | Chemical Physics Letters | 2016 | 7 Pages |
Abstract
- The local tetrahedral order and dipolar fluctuations in liquid water were studied.
- Car-Parrinello quantum molecular dynamics simulations have been performed.
- The dipole moments depend strongly on the tetrahedral order and hydrogen bonding.
- High tetrahedrally-ordered water and ice Ih molecules have similar dipole moments.
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Ioannis Skarmoutsos, Marco Masia, Elvira Guardia,