遇见数据集

Equilibrium geometries of 7-AIH+

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Figshare2022-01-29 更新2026-04-08 收录
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资源简介:

This dataset contains four XYZ files corresponding to the equilibrium geometries of 7-AIH+ molecule calculated in the ground-state S0, and also in the three next excited state surfaces, S1, S2 and S3.

创建时间:
2021-06-29
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