Journal of Molecular Modeling · Alnoor Digital Repository

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Title	Item sets
Identification and sensing of hydrogen fluoride (HF) on aluminum phosphide (Al24P24) nanocage in both gas and water phases: electronic study via density-functional theory computations	Publications
Investigation of catalytic activity of metal doped nanocages (Ni-C72 and Ni-Al36P36) for ozone decomposition to oxygen molecules	Publications
CO2 reduction reaction on Sc-doped nanocages as catalysts	Publications
Utility of structural engineering on the monitoring of acrolein by aluminum nitride nano tube	Publications
Phographene as a new carbon allotrope for adsorption and detection of SO2, AsH3, NO2, CF3H, and CO2 air pollutant gaseous species	Publications