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唐春梅; 朱卫华; 邓开明;
College of Science;
Hohai University;
Nanjing 210098;
Department of Applied Physics;
Nanjing University of Science and Technology;
Nanjing 210094;
密度泛函理论; 社会组织; 四面体; 富勒烯; TD; 禁闭; 民间; 广义梯度近似;
机译:Chirality and diastereoselection of Δ/?-configured tetrahedral zinc complexes through enantiopure Schiff base complexes: Combined vibrational circular dichroism, density functional theory, ~1H NMR, and X-ray structural studies
机译:Density functional study of transition metal (Fe,Co,Ni)‐doped C60 fullerenes as 6‐thioguanine delivery system
机译:A Density Functional Theory Study on Rechargeable Mg-ion Batteries: C_(20) Fullerene as a Promising Anode Material
机译:Theoretical studies of ground and excited electronic states in a series of heteroleptic iridium complexes using density functional theory
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