Articles with "proton disordered" as a keyword



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Research of Seawater Freezing Based on TIP4P/ICE Potential: A New Algorithm for Generating Proton Disordered Ice Ih

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Published in 2022 at "Chemical Physics Letters"

DOI: 10.1016/j.cplett.2021.139182

Abstract: Abstract we proposed a new algorithm to generate proton disordered ice Ih, which greatly improves the operation efficiency. The direct coexistence technology was used to simulate the freezing of aqueous solution of TIP4P/Ice water and… read more here.

Keywords: proton disordered; new algorithm; disordered ice; tip4p ice ... See more keywords