Category: Highlights

Thermal Management: Conductivity of 2D Covalent Organic Frameworks with Nanopores

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COSMO-RS Aided Design of New, Natural Deep Eutectic Solvents for CO2 Capture

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Systems Inorganics: Finding a Needle in a Haystack

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Ultalight aerogels from protein aggregate pyrolysis – experiments and ReaxFF simulations

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Large-scale self-consistent GW-Bethe-Salpeter-Equation calculations in ADF

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A new auxiliary basis set for (almost) all the elements of the periodic table optimized for accurate and fast TDDFT calculations

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Fast and accurate correlation energies with RPA + SOSEX

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New high-performance electrolyte for Mg-based batteries

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Spin Orbit Coupling in Charge Transfer States

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Fundamental Insights in Novel Graphene-Glassy Carbon Hybrid Materials with ReaxFF

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