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Browsing by Subject "Water"

Browsing by Subject "Water"

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    Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO2 Nanoparticles 
    Ougaard Dohn, Asmus; Selli, Daniele; Fazio, Gianluca; Ferraro, Lorenzo; Mortensen, Jens; Civalleri, Bartolomeo; Di Valentin, Cristiana (MDPI AG, 2018-11-13)
    Metal oxide nanoparticles (NPs) are regarded as good candidates for many technological applications, where their functional environment is often an aqueous solution. The correct description of metal oxide electronic structure is still a challenge for ...
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    Rootless tephra stratigraphy and emplacement processes 
    Hamilton, Christopher W.; Fitch, Erin P.; Fagents, Sarah A.; Thordarson, Thorvaldur (Springer Nature, 2017-01)
    Volcanic rootless cones are the products of thermohydraulic explosions involving rapid heat transfer from active lava (fuel) to external sources of water (coolant). Rootless eruptions are attributed to molten fuel–coolant interactions (MFCIs), but ...