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. 2022 Oct 12;18(11):6892–6904. doi: 10.1021/acs.jctc.2c00380

Figure 1.

Figure 1

Adsorption energies of H2 on the H10 periodic chain at various separation distances calculated using periodic CCSD(T), LDA-DFT, and CCSD(T)-in-DFT.