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Database
Graphite-(H
2
O)
n
, n=1,21 Clusters (TIP5P)
1
N
Energy [kJ/mol]
Structure
XYZ Coordinates
1
-8.93650
xyz-file
2
-46.55730
xyz-file
3
-85.10790
xyz-file
4
-147.58585
xyz-file
5
-195.65956
xyz-file
6
-240.82409
xyz-file
7
-281.39901
xyz-file
8
-336.46577
xyz-file
9
-386.25203
xyz-file
10
-441.51024
xyz-file
11
-483.82521
xyz-file
12
-540.97762
xyz-file
13
-584.91142
xyz-file
14
-638.10547
xyz-file
15
-684.70957
xyz-file
16
-742.26898
xyz-file
17
-788.25354
xyz-file
18
-841.84250
xyz-file
19
-890.43685
xyz-file
20
-944.51919
xyz-file
21
-996.23022
xyz-file
All figures were produced with
XCrySDen
1
Please cite Briesta S. González, Javier Hernández-Rojas, José Bretón and José M. Gomez Llorente,
Journal of Physical Chemistry C
2008
,
112,
16497-16504.
Copyright © TCCL-Tsinghua Univ. 2012