Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies

Title
Influence of acetyl, hydroxy and methyl functional groups on 2-phenylbutanoic acid by quantum computational, spectroscopic and ligand-protein docking studies
Authors
Keywords
DFT, FT-IR, FT-Raman, NBO, NLO, Molecular docking
Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1188, Issue -, Pages 99-109
Publisher
Elsevier BV
Online
2019-03-30
DOI
10.1016/j.molstruc.2019.03.093

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