A theoretical quantum study on the distribution of electrophilic and nucleophilic active sites on Ag(100) surfaces modeled as Finite Clusters
A theoretical quantum study on the distribution of electrophilicand nucleophilic active sites on silver surfaces with (100)orientation and modeled as finite clusters is reported. From Hartree-Fock and Density Functional Theory calculations with theLANL1MB and LANL2DZ basis set, we found that the ele...
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| Опубликовано в:: | Journal of the Mexican Chemical Society |
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| Главные авторы: | , , |
| Формат: | Artigo |
| Язык: | Inglês |
| Опубликовано: |
Sociedad Química de México
2006
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| Предметы: | |
| Online-ссылка: | https://www.redalyc.org/articulo.oa?id=47550105 |
| Метки: |
Нет меток, Требуется 1-ая метка записи!
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