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Author

M. Valtiner

2 papers indexed here

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Open access Sep 2026

Electrophilic substitution in poly(ethylene terephthalate) waste for upcycling to functional metal–organic frameworks

In contrast to polymer-to-polymer recycling of waste polyethylene terephthalate (wPET), chemical upcycling into added-value molecules beyond terephthalic acid is a promising strategy. Among possible transformations, electrophilic substitution offers a direct path, yet has remained unrealized due to the electron-deficie...

D. Bryankin, Alexey Ivanov, N. Soldatova et al. · 0 citations
Preprint Jul 2026

From Local Structure to Thermodynamics and Transport of Water with Machine Learning Force Fields

We evaluate machine learning force fields derived from different density functional theory exchange correlation functionals using the full six-dimensional pair correlation function of liquid water, three-body structural descriptors, excess entropy, and transport properties. The predicted microscopic structure and dynam...

A. Kretschmer, Florian Altmann, Nader Nour et al. · 0 citations

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