Cheap Turns Superior: A Linear Regression-Based Correction Method to Reaction Energy from the DFT

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Surajit Nandi, Jonas Busk, Peter Bjørn Jørgensen, Tejs Vegge, Arghya Bhowmik

Published: 01 Jan 2022, Last Modified: 15 May 2025J. Chem. Inf. Model. 2022EveryoneRevisionsBibTeXCC BY-SA 4.0