Behaviours of antiviral Oseltamivir in different media: DFT and SQMFF calculations

The synthetic cyclohexenecarboxylate ester antiviral Oseltamivir (O) have been theoretically studied by B3LYP/6–311 +  + G** calculations to estimate its reactivity and behaviour in gas and aqueous media. The most stable structure obtained in above media is consistent with that reported experimental...

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Detalles Bibliográficos
Autores principales: Vakili, Mohammad, Romano, Elida, Darugar, Vahidreza, Brandán, Silvia Antonia
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2021
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8608578/
https://www.ncbi.nlm.nih.gov/pubmed/34812947
http://dx.doi.org/10.1007/s00894-021-04962-3

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8608578/
https://www.ncbi.nlm.nih.gov/pubmed/34812947
http://dx.doi.org/10.1007/s00894-021-04962-3

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