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Vibrational spectroscopic study and nbo analysis on tranexamic acid using dft method

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Figure

Fig.1. The atom numbering for TA molecule
Fig. 4. The atomic orbital HOMO – LUMO composition of the frontier molecular orbital for TA
Table 2. Vibrational wavenumbers obtained for TA at B3LYP/6-   31G(d,p) and compared with experimental value

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