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The investigation of ion association characteristics in lanthanum sulfate solution by the density functional theory and molecular dynamics simulations.
Zhang D, Zhang Y, Li X, Zhang M, Zou L, Chi R, Zhou F. Zhang D, et al. J Mol Graph Model. 2024 Mar;127:108698. doi: 10.1016/j.jmgm.2023.108698. Epub 2023 Dec 27. J Mol Graph Model. 2024. PMID: 38199066
The ion association behavior in aqueous lanthanum sulfate solutions was investigated using density functional theory (DFT). ...(H(2)O)(n)]((3-2m)) clusters, where m = 1 to 3 and n = 1 to 9, were examined at the PBE0/6-311+G(d, p) level. The results show that Lant …
The ion association behavior in aqueous lanthanum sulfate solutions was investigated using density functional theory (DFT). .. …
Discovery of Rapid and Reversible Water Insertion in Rare Earth Sulfates: A New Process for Thermochemical Heat Storage.
Hatada N, Shizume K, Uda T. Hatada N, et al. Adv Mater. 2017 Jul;29(28). doi: 10.1002/adma.201606569. Epub 2017 Jun 6. Adv Mater. 2017. PMID: 28585261
For widespread application, a critical challenge is to identify appropriate reversible reactions that occur below 250 C, where abundant low-grade waste heat and solar energy might be available. Here, it is shown that lanthanum sulfate monohydrate La(2) (SO(4) )(3) H …
For widespread application, a critical challenge is to identify appropriate reversible reactions that occur below 250 C, where abundant low- …