10 results on '"Long, Gu"'
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2. 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).
3. Excess electron is trapped in a large single molecular cage C60F60.
4. Describing electron correlation effects in the framework of the elongation method - Elongation-MP2: Formalism, implementation and efficiency.
5. Theoretical study on nonlinear optical properties of the Li+[calix[4]pyrrole]Li-dimer, trimer and its polymer with diffuse excess electrons.
6. The nitrogen edge-doped effect on the static first hyperpolarizability of the supershort single-walled carbon nanotube.
7. Elongation cutoff technique armed with quantum fast multipole method for linear scaling.
8. Efficiency and accuracy of the elongation method as applied to the electronic structures of large systems.
9. Royal crown-shaped electride Li3-N3-Be containing two superatoms: New knowledge on aromaticity.
10. Structure and stability of B+13 clusters.
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