The Cambridge Cluster Database
N |
Total Energy (a.u.) |
Interaction Energy (kcal/mol) |
Structure (VRML format) |
Structure (jpeg format) |
Coordinates |
2 |
-152.05606 |
-5.50 |
|||
3 |
-228.09813 |
-17.10 |
|||
4 |
-304.14076 |
-29.10 |
|||
5 |
-380.17823 |
-37.70 |
|||
6-cage |
-456.21911 |
-48.60 |
|||
6-prism |
-456.22067 |
-49.60 |
|||
7 |
-532.26177 |
-60.53 |
|||
8 |
-608.30986 |
-76.01 |
|||
9 |
-684.34809 |
-85.05 |
|||
10 |
-760.39033 |
-96.75 |
|||
11 |
-836.42686 |
-105.69 |
|||
12 |
-912.47843 |
-122.39 |
|||
13 |
-988.51153 |
-128.33 |
|||
14 |
-1064.53969 |
-144.78 |
|||
15 |
-1140.60098 |
-154.82 |
|||
16 |
-1216.64686 |
-169.33 |
|||
17 |
-1292.68274 |
-176.51 |
|||
18 |
-1368.71983 |
-188.64 |
|||
19 |
-1444.76692 |
-199.69 |
|||
20 |
-1520.81697 |
-216.28 |
All the structures, total energies and the interaction energies are calculated at RHF/6-31G(d,p) level.
The structures have been visualized and VRML-files generated with UNIVIS-2000.
Please cite
* Shruti Maheshwary, Nitin Patel, Narayansami Sathyamurthy, Anant D. Kulkarni and Shridhar R. Gadre J. Phys. Chem.-A 105, 10525-10537 (2001).
Click here to get the ABSTRACT