Data for: Theoretical insight into the oxidation mechanism of NO2 and SO2 on TiO2 surface: The role of H2O, NH3 and SO42-

Published: 17-11-2020| Version 1 | DOI: 10.17632/p5rtt97gyc.1
Contributor:
Zehua Wang

Description

All coordinates of Optimized structures (relevant reactants, transition states, intermediates and products ) are listed.

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