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First-principle study and Hirshfeld surface analysis on the effect of H2O, NH3 and H2S on structural, electronic, elastic, optical and thermodynamic properties of a novel high-energy crystal 2,4,6-triamino-5-nitropyrimidine-1,3-dioxide

['Qiong Wu', 'Mingquan Li', 'Weihua Zhu']   /   Journal of Materials Science / Vol. 55 / No. 1
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