A series of molecular dynamics (MD) calculations of Ar hydrate were carried out to investigate the structure and dynamics of doubly occupied Ar hydrate. It was found that the cubic structure is distorted in doubly occupied Ar hydrates. In N2 hydrate double occupancy in the large cages preceded the full occupation of the small cages.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry