https://www.selleckchem.com/pr....oducts/ldn-212854.ht
In this work, the methodology was applied to the Li+Krn (n = 2-14 and 16) microsolvation clusters for which the most competitive DFT approach was found to be the B3LYP-D3/aug-pcseg-1. Additionally, the ML classifier was able to accurately predict most of the solutions to be re-optimized at the DFT level of theory, thereby greatly enhancing the efficiency of the process and allowing its applicability to larger clusters.Biogenic guanine crystals exhibit excellent optical properties owing to their extremely high refractive index. Howeve
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