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supplementary material

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DataCite Commons2025-12-02 更新2026-01-12 收录
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The comparison of two calculation methods to estimate the CCSD(T)/CBS interaction energies of two configurations of benzene···piperidine, and the Cartesian coordinates of the two configurations of benzene···piperidine and five configurations of C60···piperidine. In addition, we provided five figures and a table to demonstrate the results of NBO analysis.

提供机构:
AIP Publishing
创建时间:
2025-11-13
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