Tungsten and Molybdenum Heteropolyanions with Different Central Ions—Correlation between Theory and Experiment

Tungsten and Molybdenum Heteropolyanions with Different Central Ions—Correlation between Theory and Experiment

Density functional theory calculations were carried out to investigate the electronic structures of Keggin-typed [XMo<sub>12</sub>O<sub>40</sub>]<sup>n−</sup> and [XW<sub>12</sub>O<sub>40</sub>]<sup>n−</sup> anions with differen...

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Bibliographic Details
Main Authors: Piotr Niemiec, Renata Tokarz-Sobieraj, Małgorzata Witko
Format: Article
Language:English
Published: MDPI AG 2021-12-01
Series:Molecules
Subjects:
heteropolyacids
DFT calculations
correlations analysis
redox potential
energy decomposition analysis (EDA)
Online Access:https://www.mdpi.com/1420-3049/27/1/187

Internet

https://www.mdpi.com/1420-3049/27/1/187

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