A combined experimental and theoretical DFT (B3LYP, CAM-B3LYP and M06-2X) study on electronic structure, hydrogen bonding, solvent effects and spectral features of methyl 1H-indol-5-carboxylate

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Title
A combined experimental and theoretical DFT (B3LYP, CAM-B3LYP and M06-2X) study on electronic structure, hydrogen bonding, solvent effects and spectral features of methyl 1H-indol-5-carboxylate
Authors
Keywords
Density functional theory, FT-IR, FT-Raman, Solvent effects
Journal
JOURNAL OF MOLECULAR STRUCTURE
Volume 1137, Issue -, Pages 725-741
Publisher
Elsevier BV
Online
2017-02-24
DOI
10.1016/j.molstruc.2017.02.084

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