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An Experimentally Driven Automated Machine Learned lnter-Atomic Potential for a Refractory Oxide
Understanding the structure and properties of refractory oxides are critical for high temperature applications.
QM7-X: A comprehensive dataset of quantum-mechanical properties spanning the chemical space of small organic molecules
We introduce QM7-X, a comprehensive dataset of 42 physicochemical properties for $\approx$ 4. 2 M equilibrium and non-equilibrium structures of small organic molecules with up to seven non-hydrogen (C, N, O, S, Cl) atoms.
Chemical Physics
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