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The Journal of Physical Chemistry. B|April 1, 2024
Updates to Protex for Simulating Proton Transfers in an Ionic LiquidMárta Gődény, Florian Joerg, Maximilian P-P Kovar, et al.
Digital Discovery|November 5, 2025
GoFlow: efficient transition state geometry prediction with flow matching and E(3)-equivariant neural networksLeonard Galustian, Konstantin Mark, Johannes Karwounopoulos, et al.
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