Ab initio Kinetics of Electrochemical Reactions using Computational Ferroceni...
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https://b2find.eudat.eu/dataset/4b20d2ec-1be9-511c-81f0-ae7d2328b237
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资源简介：
Cyclic voltammetry simulation code comprises of ORCA output files parser (parsers.py) which extracts thermodynamic results of quantum chemical calculations. database_builder.py...
