Published: 29 December, 2023 | Volume 6 - Issue 2 | Pages: 203-215
Figure 6:
Figure 6: Effect of the addition of explicit solvent molecules to QC carboxylate (compound 1) in vacuum. Vacuum (a) and experimental data taken from Bieske, et al. [38], (b) and SCM model. In (a) and (b) the x-axis is the basis sets and the y-axis is the DFT method.
Read Full Article HTML DOI: 10.29328/journal.ijpra.1001074 Cite this Article Read Full Article PDF
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