Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation-Reference-Cited by-同舟云学术

Isotope effect on hydrogen bond symmetrization in hydrogen and deuterium fluoride crystals by molecular dynamics simulation

Author:

Dammak Hichem¹²³⁴⁵^ORCID,Brieuc Fabien¹²³⁴⁵,Geneste Grégory⁶⁷⁸⁹¹⁰^ORCID,Torrent Marc⁶⁷⁸⁹¹⁰^ORCID,Hayoun Marc¹¹¹²³⁶⁴

Affiliation:

1. Laboratoire Structures Propriétés et Modélisation des Solides

2. CentraleSupélec

3. CNRS

4. Université Paris-Saclay

5. F 91190 Gif-sur-Yvette

6. CEA

7. DAM

8. DIF

9. F 91297 Arpajon

10. France

11. Laboratoire des Solides Irradiés

12. École Polytechnique

Abstract

We evidence the symmetrization of the H-bonds occurring in HF and the deuteron hopping in DF through the tunnel effect.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference37 articles.

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