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| Thesis Name： |
Global geometry optimization of Na+(H2O)m clusters |
| Usage： |
Global geometry optimization |
| Keyword： |
123 |
| Remarks： |
A hybrid algorithm, based on genetic algorithm (GA), fast simulated annealing (FSA) and conjugated gradient algorithm (CGA) was proposed and used to optimize the structure of Na+(H2O)m (m=1-11) clusters. The empirical potential energy functions employed here included SPC, TIP, TIP3P, TIP4P and TIPS2. The optimized structure of Na+(H2O)m clusters by using these different potential energy functions were found to share the same configurations. |
| Original file： |
No File
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Promulgator Detail |
| Full name: |
hichem |
| Country: |
CN |
| City: |
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| Company Name: |
hichem |
| Homepage: |
http://www.teloon.com |
| E-mail: |
reply |
| Phone: |
86-411-82819585 |
| Fax: |
86-411-82819612 |
| Company Address: |
Renming Road, Dalian city, Lianning pro,china |
| Zip/Postal Code: |
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| Introduction: |
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