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- W4307771770 abstract "An ab initio molecular dynamics simulation of a TiO 2 nanoparticle fully immersed in water demonstrates the role of surface defects in water dissociation and elucidates water structure and dynamics at the surface." @default.
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- W4307771770 title "Water structure, dynamics and reactivity on a TiO<sub>2</sub>-nanoparticle surface: new insights from <i>ab initio</i> molecular dynamics" @default.
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