Ab initio B3LYP/6-31+G* charges, dipole and energies for CH3SH quantum center (protonated and deprotonated)
收藏Figshare2022-09-27 更新2026-04-08 收录
下载链接：
https://figshare.com/articles/dataset/Ab_initio_B3LYP_6-31_G_charges_dipole_and_energies_for_CH3SH_quantum_center_protonated_and_deprotonated_/21214205/1
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资源简介：
Gaussian output files
提供机构：
d’Inzeo, Guglielmo; D’Abramo, Marco; Marracino, Paolo; D'Annibale, Valeria; Fracassi, Donatella
创建时间：
2022-09-27
