Browsing Chemical and Materials Engineering by Author
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Browsing Chemical and Materials Engineering by Author "Xu, Si-Yu"
Ye, Cai-Chao; An, Qi; Xu, Si-Yu; Ju, Xue-Hai(John Wiley & Sons, Inc., 2016)
The adsorption and decomposition of HMX and CL?20 molecules on the Al(111) surface were investigated by the generalized gradient approximation of density functional theory. The calculations employed a supercell (6?×?6?×?3) ...