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| Comparativa Gaussian 03 / Gamess versión Sep. 7 2006 R4 / NWChem 5.0 : Métodos y modelos implementados |
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| Filename: DO_APL_CESGA_ProgramasQC_V1.pdf |
| Filesize: 77.42 KB |
| Description: • Algoritmos fundamentales
• Energías
• Gradientes y optimizaciones de geometría
• Frecuencias y segundas derivadas
• Propiedades Moleculares
• Modelos de Solvatación
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| Created On:: 19.01.2007 13:14 |
| Last updated on: 24.01.2007 15:17 |
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