https://www.selleckchem.com/pr....oducts/nibr-ltsi.htm
For a comprehensive and detailed microscopic understanding of the hydration properties of primary aqueous phosphorus species of valence states V (viz. H3PO4, H2PO4-, HPO42-, and PO43-), a series of extensive ab initio molecular dynamics (AIMD) simulations are conducted at ambient temperatures. In each of these cases, the spatially resolved, three-dimensional (3D) hydration shells are computed, allowing for a direct microscopic visual understanding of the hydration shells around the species. Since these species are excellent agents for
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