Computational studies of 2-(4-oxo-3-phenylthiazolidin-2-ylidene)malononitrile

The molecular structure of the 2-(4-oxo-3-phenylthiazolidin-2-ylidene) malononitrile (3) is calculated using DFT B3LYP/6-311G(d, p) method. The calculated geometric parameters are in good agreement with the experimental data. The NBO calculations were performed to predict the natural atomic charges...

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Detalles Bibliográficos
Autores principales: Mabkhot, Yahia N., Al-Showiman, Salim S., Barakat, A., Soliman, S. M., Kheder, Nabila A., Alharbi, Mohammed M., Asayari, Abdulrahman, Muhsinah, Abdullatif Bin, Ullah, Asad, Badshah, Syed Lal
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2019
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6661733/
https://www.ncbi.nlm.nih.gov/pubmed/31384774
http://dx.doi.org/10.1186/s13065-019-0542-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6661733/
https://www.ncbi.nlm.nih.gov/pubmed/31384774
http://dx.doi.org/10.1186/s13065-019-0542-6

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