Investigation of the Structures and Energy Landscapes of Thiocyanate-Water Clusters
The Basin Hopping search method is used to find the global minima (GM) and map the energy landscapes of thiocyanate-water clusters, (SCN−)(H2O)n with 3–50 water molecules, with empirical potentials describing the ion-water and water-water interactions. (It should be noted that beyond n = 23, the low...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI AG
2017-03-01
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| Series: | Inorganics |
| Subjects: | |
| Online Access: | http://www.mdpi.com/2304-6740/5/2/20 |