Accurately Predicting Barrier Heights for Radical Reactions in Solution Using Deep Graph Networks

Spiekermann, Kevin A.; Dong, Xiaorui; Menon, Angiras; Green, William H.; Pfeifle, Mark; Sandfort, Frederik; Welz, Oliver; Bergeler, Maike

doi:10.1021/acs.jpca.4c04121

J. Phys. Chem. A

2024

DOI: 10.1021/acs.jpca.4c04121

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Accurately Predicting Barrier Heights for Radical Reactions in Solution Using Deep Graph Networks

Kevin A. Spiekermann,

Xiaorui Dong,

Angiras Menon

et al.

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Accurately Predicting Barrier Heights for Radical Reactions in Solution Using Deep Graph Networks

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References 199 publications

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