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Database
Graphite-(H
2
O)
n
, n=1,21 Clusters (TIP4P)
1
N
Energy [kJ/mol]
Structure
XYZ Coordinates
1
-8.81196
xyz-file
2
-43.92109
xyz-file
3
-92.18176
xyz-file
4
-145.19863
xyz-file
5
-187.68339
xyz-file
6
-232.20658
xyz-file
7
-277.93806
xyz-file
8
-339.03518
xyz-file
9
-381.52690
xyz-file
10
-433.31477
xyz-file
11
-478.62132
xyz-file
12
-542.27812
xyz-file
13
-585.44622
xyz-file
14
-641.12591
xyz-file
15
-684.66397
xyz-file
16
-746.17784
xyz-file
17
-788.69914
xyz-file
18
-847.05006
xyz-file
19
-893.67147
xyz-file
20
-953.95025
xyz-file
21
-993.12676
xyz-file
All figures were produced with
XCrySDen
1
Please cite Briesta S. González, Javier Hernández-Rojas, José Bretón, José M. Gomez Llorente,
Journal of Physical Chemistry C
2007
,
111,
14862-14869
Copyright © TCCL-Tsinghua Univ. 2012