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Showing 1 to 2 of 2 for “"Polyoxoniobate"”.

  1. Computational Investigations at the Gas-Surface Interface: Organic Surface Oxidation and Hydrolysis of Chemical Warfare Agents and Simulants

    … of the nerve agent Sarin on the Lindqvist polyoxoniobate Cs8Nb6O19, we determined that the rate-limiting step is the transfer of a proton from an adsorbed water molecule to the niobate surface, concomitant with the nucleophilic addition of the nascent hydroxide to the phosphorus atom in …

    vt Repository record for Computational Investigations at the Gas-Surface Interface: Organic Surface Oxidation and Hydrolysis of Chemical Warfare Agents and Simulants (opens in a new tab)

  2. Synthesis and Computational Studies of a New Class of Lanthanide Niobate Cluster : [Ln<sub>4</sub>(H<sub>2</sub>O)<sub>8</sub>(SO<sub>4</sub>)<sub>5</sub>(NbO<sub>3</sub>)<sub>2</sub>]+3H<sub>2</sub>O; Ln= Dy, Tb

    <p>Polyoxoniobates (PONbs) are a small family of highly electron-rich clusters. The development of new solids composed of these clusters have applications in green energy and electronics. However, the high charge environment of PONbs typically requires alkaline synthetic conditions that are …

    wku-diss Repository record for Synthesis and Computational Studies of a New Class of Lanthanide Niobate Cluster : [Ln<sub>4</sub>(H<sub>2</sub>O)<sub>8</sub>(SO<sub>4</sub>)<sub>5</sub>(NbO<sub>3</sub>)<sub>2</sub>]+3H<sub>2</sub>O; Ln= Dy, Tb (opens in a new tab)