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

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

Journal title: J. Chem. Inf. Model.

Journal number: 62

Journal publisher: American Chemical Society

Published year: 2022

Published pages: 4727–4735

DOI identifier: 10.1021/acs.jcim.2c00760

ISSN: 1549-960X