As depicted in Table 1 , the ΔQ Mulliken values exhibit an increasing trend from NO 2 to H 2 S, where H 2 S has the highest ΔQ Mulliken value among the considered molecules.
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Theoretical Study of CO, NO, NO<sub>2</sub>, Cl<sub>2</sub>, and H<sub>2</sub>S Adsorption Interactions with PdO-Graphene Composites for Gas Sensor Applications.
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