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Sponsored AI Networking Cookbook: Practical recipes for AI-assisted network automation and development AI Networking Cookbook: Practical recipes for AI-assisted network automation and development

Author

Eduardo Chamorro

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Oct 2026

The Local Virial Theorem in Electron Localization Function Partitions

The local form of the virial theorem provides a stringent condition for assessing whether a spatial region behaves as a mechanically closed subsystem in molecular space. While basins derived from the topology of the electron density satisfy this condition by construction, we show that ELF basins do not. The transform...

Cristian J. Guerra, Leandro Ayarde-Henríquez, José L. Burgos et al. · 0 citations
Oct 2026

Population-Weighted First-Shell Coordination States Rationalize Li + and Na + Mobility in PEO and PEC Polymer Electrolytes

Understanding the molecular origin of the distinct transport behavior of Li+ and Na+ in polymer electrolytes remains a central challenge for next-generation energy-storage materials. Here, cation transport in poly(ethylene oxide) (PEO) and poly(ethylene carbonate) (PEC) electrolytes is investigated using atomistic mo...

Gabriela Campos-Fernández, Patricia Pérez, F. González-Nilo et al. · 0 citations

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