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- W3198570647 abstract "Our present work reports the IR spectra of amino substituted salicylic acids recorded by FTIR spectrometer and also simulated theoretically. The simulation was performed using GF matrix and AM1, PM3, DFT method. In this work, the following steps were taken: optimizing the geometry, computing the IR spectra and comparing it with experimental spectra. Assuming Cspoint symmetry, vibrational assignments for the observed frequencies have been proposed. The spectra exhibit distinct features originating from low frequency vibrational modes caused by intra-molecular motion. Key words: o-amino salicylic acid, m-amino salicylic acid, p-amino salicylic acid, FTIR spectra, vibrational spectra, AM1, PM3, DFT, G-F Matrix." @default.
- W3198570647 created "2021-09-13" @default.
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- W3198570647 date "2007-07-31" @default.
- W3198570647 modified "2023-09-24" @default.
- W3198570647 title "Numerical simulation of the internal vibrations of COOH group in amino-salicylic acids" @default.
- W3198570647 doi "https://doi.org/10.5897/ajbr.9000175" @default.
- W3198570647 hasPublicationYear "2007" @default.
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