Published: 29 December, 2023 | Volume 6 - Issue 2 | Pages: 203-215
Figure 2:
Figure 2: The investigated explicit solvent molecule systems with one, two and three explicit solvent molecules as both charged and uncharged species. The one explicit solvent molecule system (Figure 2(a)) have been investigated with varying degrees of theory, while both the two and three (Figures 2(b) and 2(c)) molecule solvent systems have been performed with DFT/CAM-B3LYP/6-311+g(d) level of theory.
Read Full Article HTML DOI: 10.29328/journal.ijpra.1001074 Cite this Article Read Full Article PDF
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