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...

ver descrição completa

Na minha lista:
Detalhes bibliográficos
Publicado no:Data Brief
Main Authors: Dai, Yujie, Hua, Qingyuan, Ling, Jun, Shao, Chunfu, Zhong, Cheng, Zhang, Xiuli, Hu, Yanying, Zhang, Liming, Liu, Yaotian
Formato: Artigo
Idioma:Inglês
Publicado em: Elsevier 2018
Assuntos:
Chemistry
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC6141799/
https://ncbi.nlm.nih.gov/pubmed/30246097
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.dib.2018.07.004
Tags: Adicionar Tag
Sem tags, seja o primeiro a adicionar uma tag!

Registos relacionados