Research data supporting "Symmetry in Multiple Self-Consistent-Field Solutions of Transition-Metal Complexes"
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下载链接：
https://www.repository.cam.ac.uk/handle/1810/299872
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资源简介：
Raw Q-Chem outputs for metadynamics calculations Raw Q-Chem outputs for reconvergence calculations into individual states Raw Q-Chem outputs for NOCI calculations Raw pickled Python dictionaries (.sd files) containing symmetry-equivalent states generated by SymmetryTools in QCMagic Symmetry analysis results
提供机构：
Apollo - University of Cambridge Repository
创建时间：
2019-09-12
