Drug Design Outlook by Calculation of Second Virial Coefficient as a Nano Study
Intermolecular potential energy surface for an interaction of drug with Na has been examined using HF level of theory with 6-31G*basis set. The name of drug is meso-tetrakis (p-sulphonatophenyl) porphyrin (here after abbreviated to TSPP) . The numbers of Na+ have a significant effect on the calcula...
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| Gepubliceerd in: | Journal of the Mexican Chemical Society |
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| Hoofdauteurs: | , , , |
| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
Sociedad Química de México
2012
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| Onderwerpen: | |
| Online toegang: | https://www.redalyc.org/articulo.oa?id=47523306021 |
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