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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

V. Vázquez-Báez

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Open access Aug 2026

Theoretical Analysis of Electronic, Vibrational Properties, and Noncovalent Interactions in Methylxanthines: Monomers to Antiparallel Dimers

This study provides a comprehensive characterization of methylxanthines in monomeric and antiparallel dimeric configurations using DFT-D3 and SAPT0 analysis. Our results elucidate a synergistic interplay between hydrogen bonding and π–π stacking, where London dispersion accounts for over 50% of the total attractive for...

Raúl Mendoza-Báez, D. García-Toral, A. Deriabina et al. · 0 citations

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