Molecular Structure, NMR, HOMO, LUMO, and Vibrational Analysis of O-Anisic Acid and Anisic Acid Based on DFT Calculations

<table class="table-group" id="tab11"><tr><td><table class="table"><tr><td class="thead-hr" colspan="3"><hr/></td></tr><tr class="thead"><td align="left">Parameters</td><td align="center">OAA</td><td align="center">AA</td></tr><tr><td class="thead-hr" colspan="3"><hr/></td></tr><tr><td align="left"><span style="width: 48.549999px;"><svg height="15.4375" id="M279" style="vertical-align:-3.41936pt" version="1.1" viewbox="0 0 48.549999 15.4375" width="48.549999" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink">
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</svg></span></td><td align="center">10.752</td><td align="center">10.256</td></tr><tr class="table-tr"><td colspan="3"><hr class="tbody-hr"/></td></tr></table></td></tr></table>

Calculated quantum chemical parameters of O-Anisic acid (OAA) and Anisic acid (AA)  derivatives.

Journal of Spectroscopy

tab11

Table 11

Table 11: Molecular Structure, NMR, HOMO, LUMO, and Vibrational Analysis of O-Anisic Acid and Anisic Acid Based on DFT Calculations 