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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

M. Castro

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Open access Sep 2026

Dense Low-Energy Landscapes of C2H6S2 and their Implications for Interstellar Sulfur Chemistry

The molecular inventory of sulfur-containing species in the interstellar medium remains poorly constrained, particularly for polysulfur organic species. Here, a comprehensive ab initio exploration of the C2H6S2 potential energy surface reveals a dense low-energy region containing numerous sulfur-containing structures...

Rafael Flores-Larrañaga, Luis Armando González-Ortiz, F. Ortíz-Chi et al. · 0 citations
Open access Aug 2026

SolvateIt: A Tool for Solvating Molecules. A Case Study of Phloroglucinol in Solution

The explicit first solvation shell remains a pivotal challenge in quantum chemical studies of solution‐phase systems. A surface coverage‐based protocol to construct explicit solvation environment is presented, in which the number and arrangement of solvent molecules emerge from the percentage of Solvent Accessible Surf...

Yamil Hernández‐Urquieta, Andrea Moreno-Ceballos, M. E. Castro et al. · 0 citations

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