Data for Influence of Substitution Patterns on Isomer Preference in Chromone-Methanol Clusters
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资源简介：
Dataset contains Input and Output files of ORCA together with corresponding XYZ structure files. They are related to DFT calculations as well as local energy decomposition on the DLPNO-CCSD(T) level.
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Zenodo创建时间：
2025-01-27
