Supporting Data: CASPT2 molecular geometries of Fe(II) spin-crossover complexes
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https://figshare.com/articles/dataset/Supporting_Data_CASPT2_molecular_geometries_of_Fe_II_spin-crossover_complexes/23564070
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资源简介：
Supporting computational data for the following publication: <br> B. A. Finney, S. Roy Chowdhury, C. Kirkvold, and B. Vlaisavljevich “CASPT2 Geometry Optimizations of Fe(II) Spin-Crossover Complexes” <em>Phys. Chem. Chem. Phys.</em> <strong>2022</strong>, 24, 1390-1398.
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figshare
创建时间：
2023-06-22
