Metastable isomers of Krn+ clusters


Colours of atoms correspond to the mean charges they carry:

0.0 e - 0.125 e - 0.25 e - 0.375 e - 0.5 e


Kr3+

DIM + SO
DIM + SO + ID-ID
Structure
Energy
[meV]
Structure
Energy
[meV]

1
(stable)

2
+127
+152

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Kr4+

DIM + SO
DIM + SO + ID-ID
Structure
Energy
[meV]
Structure
Energy
[meV]

1
(stable)

2
+20.3

+3.3

3 +101 +138

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Kr5+

DIM + SO
DIM + SO + ID-ID
Structure
Energy
[meV]
Structure
Energy
[meV]

1
(stable)

2
+1.0

+0.6

3 +33.6 +6.33
4 +45.2 +14.7
5 +48.7 +46.7
6 +93.0 +131
7 +99.5 - - -

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Kr6+

DIM + SO
DIM + SO + ID-ID
Structure
Energy
[meV]
Structure
Energy
[meV]

1
(stable)

2
+1.7

+6.3

3 +2.3 +7.0
4 +3.8 +10.3
5 +32.2 +17.1
6 +32.6 +18.6
7 +48.1 +24.5
8 +52.0 +63.9
9 +59.0 +133
10 +87.1 - - -
11 +121 - - -

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last update: 28 August, 2003