A theoretical study of chemical bonding and topological and electrostatic properties of the anti-leprosy drug dapsone

The theoretical charge density study for the gas phase of anti-leprosy drug Dapsone has been carried out in the light of the theory of atoms in molecules using density functional theory employing B3LYP(6-311G++(d, p) hybrid functional completed with dispersion corrections. The Hirshfeld surface anal...

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Detalles Bibliográficos
Autores principales: Rajendran, Niranjana Devi, Mookan, Natarajan, Samuel, Israel, Mookan, Sarath Babu, Munusamy, Govindarajan, Gurudeeban, Selvaraj, Kaliamurthi, Satyavani
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer Berlin Heidelberg 2020
Materias:
Original Paper
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7228959/
https://www.ncbi.nlm.nih.gov/pubmed/32415338
http://dx.doi.org/10.1007/s00894-020-04393-6

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7228959/
https://www.ncbi.nlm.nih.gov/pubmed/32415338
http://dx.doi.org/10.1007/s00894-020-04393-6

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