The Importance of Reaction Energy in Predicting Chemical Reaction Barriers with Machine Learning Models

Chemphyschem. 2024 Mar 22:e202300933. doi: 10.1002/cphc.202300933. Online ahead of print.NO ABSTRACTPMID:38517585 | DOI:10.1002/cphc.202300933

Source: Chemphyschem - March 22, 2024 Category: Chemistry Authors: Nithin Lalith Aayush Singh Joseph A Gauthier Source Type: research