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Band edges positions prediction of the of Ag nanocluster-decorated titania surfaces and their relationship to NO and NO2 interaction from first-principles calculations.
J Mol Graph Model. 2023 Nov;124:108531. doi: 10.1016/j.jmgm.2023.108531. Epub 2023 May 31.
J Mol Graph Model. 2023.
PMID: 37311332
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