Diels-Alder reactions

Emerging

2papers using it

2025first seen

The 'Diels-Alder reactions' dataset contains examples of chemical reactions used to evaluate the performance of quantum chemistry methods, particularly in accurately predicting bond breaking and electronic structure changes.

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Papers using Diels-Alder reactions (2)

Following the Committor Flow: A Data-Driven Discovery of Transition Pathways2025 · 4 cites

An ab initio foundation model of wavefunctions that accurately describes chemical bond breaking2025 · 1 cites