https://www.selleckchem.com/pr....oducts/sodium-pyruva
ion energies and further decompose via three-body fragmentation processes. Experiments with d1-PA (CH3COCOOD) support the interpretations. The dissociation on S3 is fast, as indicated by the products' recoil angular anisotropy, but the roles of internal conversion and intersystem crossing to lower states are yet to be determined.Machine learning force field (ML-FF) has emerged as a potential promising approach to simulate various material phenomena for large systems with ab initio accuracy. However, most ML-FFs have been used to
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