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algorithm python » algorithm within (Expand Search), algorithms within (Expand Search)
algorithms link » algorithms risk (Expand Search), algorithms linear (Expand Search), algorithms using (Expand Search)
algorithm both » algorithm blood (Expand Search), algorithm b (Expand Search), algorithm etc (Expand Search)
link function » lung function (Expand Search), liver function (Expand Search), loss function (Expand Search)
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Landscape17
Published 2025“…This dataset features global potential energy surface representations generated using the energy landscape framework and includes regions crucial for accurately reproducing both thermodynamic and kinetic properties. For each of the selected six molecules (ethanol, malonaldehyde, paracetamol, salicylic acid, azobenzene, and aspirin) we provide all the minima and transition states, along with configurations from the two approximate steepest-descent paths connecting each transition state to the corresponding minima, computed using hybrid-level density functional theory. …”