Summarized values of total energy (ESAPT0), electrostatic (Eelst), induction (Eind), dispersion (Edisp), and exchange (Eexch) energies for NBs∙∙∙Be12O12 complexes within configurations A↔C.

Figshare2024-11-22 更新2026-04-28 收录

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https://figshare.com/articles/dataset/Summarized_values_of_total_energy_i_E_i_sup_SAPT0_sup_electrostatic_i_E_i_sub_elst_sub_induction_i_E_i_sub_ind_sub_dispersion_i_E_i_sub_disp_sub_and_exchange_i_E_i_sub_exch_sub_energies_for_NBs_Be_sub_12_sub_O_sub_12_sub_complexes_within_co/27892576 数据链接链接失效反馈

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资源简介：

Summarized values of total energy (ESAPT0), electrostatic (Eelst), induction (Eind), dispersion (Edisp), and exchange (Eexch) energies for NBs∙∙∙Be12O12 complexes within configurations A↔C.

本数据集包含构型A↔C范围内的NBs∙∙∙Be12O12复合物的总能量（ESAPT0）、静电相互作用能（Eelst）、诱导相互作用能（Eind）、色散相互作用能（Edisp）及交换相互作用能（Eexch）的汇总值。

创建时间：

2024-11-22

Summarized values of total energy (ESAPT0), electrostatic (Eelst), induction (Eind), dispersion (Edisp), and exchange (Eexch) energies for NBs∙∙∙Be12O12 complexes within configurations A↔C.

资源简介：

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