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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

Giovanni Nottoli

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Preprint Sep 2026

Polarizable Embedding for Photoelectron Spectroscopy and Photoelectron Circular Dichroism in Solution: Core-Level Ionization of Aqueous Alanine

We present a polarizable quantum-mechanics/molecular-mechanics formulation for the calculation of molecular photoionization observables in solution. The approach couples the static-exchange density-functional-theory treatment of bound and continuum electronic states with a fully atomistic polarizable embedding describe...

Giovanni Nottoli, P. Cappelli · 0 citations

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