Supplementary data for the quantum chemical calculation of free radical substitution reaction mechanism of camptothecin

This data article contains the truncated view of the transition states for methyl radical attacking camptothecin at the site of 9, 10, 11, 12 and 14 in acidic conditions obtained from quantum computation of Gaussian 09 with B3LYP/6–31+G(d,p) level, also the truncated view of transition states for H...

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Detalles Bibliográficos
Autores principales: Dai, Yujie, Hua, Qingyuan, Ling, Jun, Shao, Chunfu, Zhong, Cheng, Zhang, Xiuli, Hu, Yanying, Zhang, Liming, Liu, Yaotian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Elsevier 2018
Materias:
Chemistry
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6141799/
https://www.ncbi.nlm.nih.gov/pubmed/30246097
http://dx.doi.org/10.1016/j.dib.2018.07.004

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6141799/
https://www.ncbi.nlm.nih.gov/pubmed/30246097
http://dx.doi.org/10.1016/j.dib.2018.07.004

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