DFT simulation towards evaluation the molecular structure and properties of the heterogeneous C16Mg8O8 nano-cage as selective nano-sensor for H2 and N2 gases

DFT simulation towards evaluation the molecular structure and properties of the heterogeneous C16Mg8O8 nano-cage as selective nano-sensor for H2 and N2 gases

Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Graphics and Modelling - Volume 70, November 2016, Pages 163-169

Parnia Abyar Ghamsari, Milad Nouraliei, Sara Soleimani Gorgani,