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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| Vydáno v: | Journal of the Mexican Chemical Society |
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| Hlavní autoři: | , , , |
| Médium: | Artigo |
| Jazyk: | Inglês |
| Vydáno: |
Sociedad Química de México
2012
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| Témata: | |
| On-line přístup: | https://www.redalyc.org/articulo.oa?id=47523306021 |
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