Open AccessFirst-principles DFT investigations of the vibrational spectra of chloro-quine and hydroxychloroquine
Author(s) -
Xiaoyan Liu,
Ya-Ning Xu,
Haocheng Wang,
Jing-Wen Cao,
Xiao-Ling Qin,
Peng Zhang
Publication year - 2021
Publication title -
journal of physics communications
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.407
H-Index - 17
ISSN - 2399-6528
DOI - 10.1088/2399-6528/ac2ada
Subject(s) - hydroxychloroquine , castep , density functional theory , computational chemistry , electrophile , molecule , chemistry , covid-19 , organic chemistry , medicine , disease , pathology , infectious disease (medical specialty) , catalysis
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