Abstract
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.
| Original language | English |
|---|---|
| Pages (from-to) | 9414-9420 |
| Number of pages | 7 |
| Journal | The Journal of Chemical Physics |
| Volume | 115 |
| Issue number | 20 |
| DOIs | |
| Publication status | Published - Nov 22 2001 |
| Externally published | Yes |
Fingerprint
ASJC Scopus subject areas
- Atomic and Molecular Physics, and Optics
Cite this
The structure and dynamics of doubly occupied Ar hydrate. / Itoh, Hidenosuke; Tse, John S.; Kawamura, Katsuyuki.
In: The Journal of Chemical Physics, Vol. 115, No. 20, 22.11.2001, p. 9414-9420.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - The structure and dynamics of doubly occupied Ar hydrate
AU - Itoh, Hidenosuke
AU - Tse, John S.
AU - Kawamura, Katsuyuki
PY - 2001/11/22
Y1 - 2001/11/22
N2 - 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.
AB - 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.
UR - http://www.scopus.com/inward/record.url?scp=0035935941&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=0035935941&partnerID=8YFLogxK
U2 - 10.1063/1.1414378
DO - 10.1063/1.1414378
M3 - Article
AN - SCOPUS:0035935941
VL - 115
SP - 9414
EP - 9420
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 20
ER -