Special points for Brillouin-zone integrations

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Items 301–400 of 1,047

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4. Experimental realization of honeycomb borophene
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7. Ab initiocalculation of the macroscopic dielectric constant in silicon
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10. Exploring the ternary interactions in Cu–ZnO–ZrO2 catalysts for efficient CO2 hydrogenation to methanol
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13. Dynamical atomic charges: The case of AB O 3 compounds
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14. CO activation pathways and the mechanism of Fischer–Tropsch synthesis
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17. Evaluation of Half‐Heusler Compounds as Thermoelectric Materials Based on the Calculated Electrical Transport Properties
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18. Mechanisms of Oxidase and Superoxide Dismutation-like Activities of Gold, Silver, Platinum, and Palladium, and Their Alloys: A General Way to the Activation of Molecular Oxygen
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44. A perspective on conventional high-temperature superconductors at high pressure: Methods and materials
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45. Ab initio thermodynamics of the CoCrFeMnNi high entropy alloy: Importance of entropy contributions beyond the configurational one
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46. First-principles study, fabrication and characterization of (Zr0.25Nb0.25Ti0.25V0.25)C high-entropy ceramics
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47. Phonons and lattice dielectric properties of zirconia
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48. Optimization of ionic conductivity in doped ceria
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51. Molecular docking sites designed for the generation of highly crystalline covalent organic frameworks
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68. Theory of hydrogen diffusion and reactions in crystalline silicon
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