All NewsTTM2-F water clusters
Putative global minima of TTM2-F*** (H2O)n clusters*, **
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n = 6*
-194.379 kJ/mol
xyz file
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n = 7*
-241.642 kJ/mol
xyz file
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n = 8*
-306.441 kJ/mol
xyz file
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n = 9*
-348.533 kJ/mol
xyz file
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n = 10*
-395.626 kJ/mol
xyz file
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-
n = 11*
-438.125 kJ/mol
xyz file
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-
n = 12*
-502.380 kJ/mol
xyz file
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-
n = 13*
-545.733 kJ/mol
xyz file
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n = 14*
-597.596 kJ/mol
xyz file
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n = 15*
-644.254 kJ/mol
xyz file
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n = 16*
-699.515 kJ/mol
xyz file
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n = 17**
-746.735 kJ/mol
xyz file
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n = 18*
-797.393 kJ/mol
xyz file
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n = 19*
-849.930 kJ/mol
xyz file
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n = 20*
-905.177 kJ/mol
xyz file
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n = 21*
-952.266 kJ/mol
xyz file
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n = 22*
-1000.223 kJ/mol
xyz file
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-
n = 23*
-1057.636 kJ/mol
xyz file
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n = 24*
-1107.050 kJ/mol
xyz file
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n = 25*
-1160.237 kJ/mol
xyz file
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n = 26*
-1211.157 kJ/mol
xyz file
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n = 27**
-1262.045 kJ/mol
xyz file
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n = 28**
-1312.468 kJ/mol
xyz file
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n = 29*
-1371.087 kJ/mol
xyz file
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n = 30*
-1421.564 kJ/mol
xyz file
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n = 31*
-1476.406 kJ/mol
xyz file
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n = 32*
-1529.526 kJ/mol
xyz file
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n = 33**
-1575.676 kJ/mol
xyz file
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n = 34*
-1629.658 kJ/mol
xyz file
Oxygen atoms in blue mark molecules inside a clathrate like cage.
- All structures have been visualized with XMakemol
- *B.Bandow, B.Hartke, J. Phys. Chem. A 110 (2006) 5809-5822
- **B. Bandow, Ph.D. Thesis: Globale Geometrieoptimierung von Wasserclustern, Kiel (2007)
- ***C.J. Burnham, S.S. Xantheas, J. Chem. Phys. 116 (2002) 5115