| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 6877321 | Journal of Molecular Graphics and Modelling | 2018 | 12 Pages |
Abstract
Reaction mechanism of H2O2 and [γ-PV2W10O38(μ-OH)2]3-, and electronic structure of catalytic active species peroxo complex [γ-PV2W10O38(μ-η2,η2-O2)]3- have been studied by using the density functional theory method with B3LYP functional.373
Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
![Activation mechanism of hydrogen peroxide by a divanadium-substituted polyoxometalate [γ-PV2W10O38(μ-OH)2]3-: A computational study](/preview/png/6877321.png "First Page Preview: Activation mechanism of hydrogen peroxide by a divanadium-substituted polyoxometalate [γ-PV2W10O38(μ-OH)2]3-: A computational study")
Authors
Chun-Guang Liu, Yun-Jie Chu,