PCMRESP: A Method for Polarizable Force Field Parameter Development and Transferability of the Polarizable Gaussian Multipole Models Across Multiple Solvents.

J Chem Theory Comput · 2024 · PMC11008095 · PMID 38502776

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quite significantno p-value reported

Among the five tested solvation environments, the gas phase ESPs consistently exhibited the largest errors when they were calculated using parameters developed in other media and the differences were quite significant.

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