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All-Electron Quantum Monte Carlo with Jastrow Single Determinant Ansatz: Application to the Sodium Dimer | Journal of Chemical Theory and Computation
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Materials | Free Full-Text | Effect of Doping on the Electronic Structure of the Earth’s Lower Mantle Compounds: FeXO3 with X = C, Al, Si
Balancing Dielectric Loss and Magnetic Loss in Fe–NiS2/NiS/PVDF Composites toward Strong Microwave Reflection Loss | ACS Applied Materials & Interfaces
a-e) Relaxed Ge:H NC model in atomistic simulations: (a) small (1.47... | Download Scientific Diagram
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Color online) Unit cell of pyrite FeS 2 (rendered by VESTA 17 ). The... | Download Scientific Diagram
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Exploring the configuration spaces of surface materials using time-dependent diffraction patterns and unsupervised learning | Scientific Reports
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First-Principles Computational Design and Discovery of Solid-Oxide Proton Conductors | Chemistry of Materials