DFT calculations, structural analysis, solvent effects, and non-covalent interaction study on the para-aminosalicylic acid complex as a tuberculosis drug: AIM, NBO, and NMR analyses

作者：Evan Abdulkareem Mahmood, Mohammad Reza Poor Heravi, Azadeh Khanmohammadi, Sarvin Mohammadi‐Aghdam, Abdol Ghaffar Ebadi, Sepideh Habibzadeh · 发表于：Journal of Molecular Modeling · 年份：2022 · DOI：10.1007/s00894-022-05279-5 · 被引用次数：12 · 研究领域：Nonlinear Optical Materials Research、Crystallography and molecular interactions、Organic Chemistry Cycloaddition Reactions