Structure and bonding in ionized water clusters
The structure and bonding in ionized water clusters, (H_2O)n+(n = 3–9), has been studied using the basin hopping search algorithm in combination with quantum chemical calculations. Initially candidate low energy isomers are generated using basin hopping in conjunction with density functional theory....
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Chemical Society
2013
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| Online Access: | http://eprints.nottingham.ac.uk/29970/ http://eprints.nottingham.ac.uk/29970/ http://eprints.nottingham.ac.uk/29970/ http://eprints.nottingham.ac.uk/29970/1/water.pdf |