PS-CAT
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资源简介：
PS-CAT: optimized structure with charge=0, spin=singlet PS-CAT_3MC: optimized 3MC structure with charge=0, spin=triplet PS-CAT_3pp: optimized 3pipi* structure with charge=0, spin=triplet PS-CAT_monoanion: optimized structure with charge=-1, spin=doublet
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Zenodo创建时间：
2023-12-08
