Adsorption of HCN, HNC and CH3CN toxic gases on the M-doped (M = Cr, Fe, Ni and Zn) GaNNS: A DFT-D study

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Yekta, Melody [1 ]
Zanjanchi, Mohammad Ali [1 ]
Roohi, Hossein [1 ]
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[1] Computational Quantum Chemistry Laboratory, Department of Chemistry, Faculty of Science, University of Guilan, Rasht, Iran
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Adsorption
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