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Sponsored Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt Design Multi-Agent AI Systems Using MCP and A2A: Engineer your own Pyt

Author

V. Van Speybroeck

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2 papers indexed here

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Open access Sep 2026

Enhancing Solubility Predictions of Plastic Additives in Depolymerization Solvents Using Quantum Chemical Conformer Analysis and COSMO-RS

The success of recycling plastics by means of depolymerization requires the selective purification of regenerated monomers from complex mixtures. This can be assisted by accurate prediction of the phase behavior of large, flexible, and multifunctional additive molecules, which remains a challenge for current thermody...

Amin Shariatmadar Tehrani, Ruben Goeminne, P. Cnudde et al. · 0 citations
Aug 2026

The catalysed electrophilic aromatic bromination of benzenes: insights from density functional theory and biased molecular dynamics simulations.

The catalysed electrophilic aromatic bromination of benzene, anisole and nitrobenzene was investigated using static ωB97X-D/cc-pVTZ calculations in gas phase as well as enhanced umbrella sampling ab initio molecular dynamics simulations in an explicit apolar (CCl4) environment. Whereas the reaction profiles for the bro...

X. Deraet, Eline Desmedt, M. Bocus et al. · 0 citations

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