Scatter Plot from Scientific Research
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Experimentally (via 13C NMR spectroscopy; see Eq. (2)) determined distances d′ for 2 a and 2 c–g versus the calculated ones [Å]. The values of the calculations (B3LYP-D3BJ(SMD)/TZVP) were determined via Boltzmann distribution (Gibbs energies; red squares) and stem from the energetically most favorable conformer (blue squares).
#Scatter Plot#Regression Plot#13C NMR Spectroscopy#Distance Calculation#Boltzmann Distribution#Gibbs Energies#Conformer Analysis
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