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• Understanding Electron Transfer Reactions using Constrained Density Functional Theory: Complications due to Surface Interactions

  Hashemi, A. (Creator), Peljo, P. (Creator) & Laasonen, K. (Creator), Zenodo, 2022

  DOI: 10.5281/zenodo.7388979, https://zenodo.org/record/7388980

  Dataset

• Density Functional Theory and Machine Learning for Electrochemical Square-Scheme Prediction: An Application to Quinone-type Molecules Relevant to Redox Flow Batteries

  Hashemi Petrudi, A. (Creator), Khakpour, R. (Creator), Mahdian, A. (Creator), Busch, M. (Creator), Peljo, P. (Creator) & Laasonen, K. (Creator), Zenodo, 20 May 2023

  DOI: 10.5281/zenodo.7952776, https://zenodo.org/records/8268829

  Dataset