Replication Data for: A Computational Protocol for VCD spectra of Cyclic Pept...
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https://b2find.eudat.eu/dataset/58ad59fe-8068-5b59-aec8-0cbe0e011b98
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资源简介：
This dataset contains output files for a conformational search (CREST 2.8), optimized geometries, frequencies and Vibrational Circular Dichroism (VCD) properties (Gaussian 16...
