Theoretical search of crystal polymorphs of temozolomide

Possible polymorphic forms of the chemotherapy drug, temozolomide were predicted from the ab initio and DFT methods. The lattice minimization via distributed multipole analysis was carried out for the hypothetical generated structures. A crystal with unit cell parameters close to the real one and of...

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Detalles Bibliográficos
Autores principales: Arputharaj, David Stephen, Rajasekaran, Meenashi, Jelsch, Christian, Kandasamy, Saravanan, Al-Sehemi, Abdullah G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2022
Materias:
Research Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9189895/
https://www.ncbi.nlm.nih.gov/pubmed/35706947
http://dx.doi.org/10.1016/j.heliyon.2022.e09608

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9189895/
https://www.ncbi.nlm.nih.gov/pubmed/35706947
http://dx.doi.org/10.1016/j.heliyon.2022.e09608

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