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. 2019 Jan 14;10(8):2534–2542. doi: 10.1039/c8sc05443f

Table 2. Experimental and theoretical first ADE and VDE, calculated from the PBE/TZP, PBE0/TZP, and CCSD(T)/VTZ methods for the global minimum inverse sandwich structures of La2B7 and La2B9

ADE
VDE1
Exp PBE PBE0 CCSD(T) Exp PBE PBE0 CCSD(T)
La2B7 1.2 1.33 1.27 1.35 1.35 1.38 1.32 1.40
La2B9 1.94 1.88 1.78 1.93 2.04 1.92 1.90 1.98