遇见数据集

Structures in the ground and excited states of IFP1.4

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Zenodo2020-08-22 更新2026-04-07 收录
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资源简介:

S0min_ABCD - structure of the ground state minimum in the pdb-format S1min-I,II,III - structures of the excited state minima in the pdb-format CI_A and CI_D - structures of the minimum energy conical intersaection points in the pdb-format

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2020-08-22
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