Exploring the Binding Characteristics of Phosphomolybdic Acid with CH3X (X= F, Cl, and Br) via DFT Calculations
This study investigates the potential use of phosphomolybdic acid (POM) as an adsorbate
for hazardous organic gases (CH3X, where X= F, Cl, and Br). Density functional theory …
for hazardous organic gases (CH3X, where X= F, Cl, and Br). Density functional theory …
Pristine and Alkaline Earth Metal‐Decorated C24N24 Fullerenes as Potential Sensors for Halomethanes: A Comparative DFT Investigation
In this paper, attempts were made to investigate the adsorption potential of pristine and
alkaline earth metal (AEM)‐decorated C24N24 fullerenes toward the halomethanes (XCH3 …
alkaline earth metal (AEM)‐decorated C24N24 fullerenes toward the halomethanes (XCH3 …