A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH3)n](M = Be, Mg and Ca; n = 1-3) - researchr publication

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Yan Ying Liang, Bo Li, Xuan Xu, Feng Long Gu, Chaoyuan Zhu. A Density Functional Theory Study on Nonlinear Optical Properties of Double Cage Excess Electron Compounds: Theoretically Design M[Cu(Ag)@(NH3)n](M = Be, Mg and Ca; n = 1-3). Journal of Computational Chemistry, 40(9):971-979, 2019. [doi]

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