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Note: When clicking on a Digital Object Identifier (DOI) number, you will be taken to an external site maintained by the publisher. Some full text articles may not yet be available without a charge during the embargo (administrative interval).
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The Analysis of Electron Densities: From Basics to Emergent Applications

https://doi.org/10.1021/acs.chemrev.4c00297

Koch, Daniel; Pavanello, Michele; Shao, Xuecheng; Ihara, Manabu; Ayers, Paul W; Matta, Chérif F; Jenkins, Samantha; Manzhos, Sergei (November 2024, Chemical Reviews)

Free, publicly-accessible full text available November 27, 2025
Effective Wang-Teter kernels for improved orbital-free density functional theory simulations

https://doi.org/10.1103/PhysRevB.110.085129

Rios-Vargas, Valeria; Shao, Xuecheng; Trickey, S_B; Pavanello, Michele (August 2024, Physical Review B)
“Atomic Topping” of MnO _x on Al ₂ O ₃ to Create Electron-Rich, Aperiodic, Lattice Oxygens that Resemble Noble Metals for Catalytic Oxidation

https://doi.org/10.1021/jacs.4c03299

Gan, Tao; Chen, Xin; Chu, Xuefeng; Jing, Pei; Shi, Shaozhen; Zhang, Zedong; Zhang, Wenxiang; Li, Jiong; Zhang, Shuo; Pavanello, Michele; et al (June 2024, Journal of the American Chemical Society)

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