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. 2024 Oct 24;67(21):19103–19120. doi: 10.1021/acs.jmedchem.4c01575

Table 2. Comparison of the Selected Properties (Dipole Moment, |μD|, Relative Stability, Erel, and Solvation Energy, Esolv) Obtained from the DFT Calculations for Both Complex Photoisomers.

  trans-2 cis-2
|μD| [D] 18.13 6.88
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0 20.92
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–46.09 –55.24