Theoretical investigation of X12O12 (X = Be, Mg, and Ca) in sensing CH2N2: A DFT study

Publication date: April 2021Source: Computational and Theoretical Chemistry, Volume 1198Author(s): Mohsen Doust Mohammadi, Hewa Y. Abdullah, Somnath Bhowmick, George Biskos

Source: Computational and Theoretical Chemistry - February 12, 2021 Category: Chemistry Source Type: research