Theoretical Studies of the Binding Motifs and the Molecular Dynamics in Hydrated Anion Clusters
博士 === 輔仁大學 === 化學系 === 102 === In this thesis, several kinds of the hydrated anion clusters are investigated using ab-initio and BOMD with density functional theory methods. The systems studied include X2-(H2O) [X = O, F] clusters and the charge-transfer-to-solvent (CTTS) excited states in I-(H2O)4...
| Main Authors: | , |
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| Format: | Others |
| Language: | zh-TW |
| Published: |
2014
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| Online Access: | http://ndltd.ncl.edu.tw/handle/52997868381166010425 |