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Author

J. M. Vicent-Luna

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Preprint Oct 2026

Reparameterizing GFN1-xTB for Ionic Liquids

Ionic liquids are materials whose properties can be tailored for a wide range of applications, but their chemical diversity and complex electronic structure make systematic screening using quantum-mechanical methods computationally demanding. Semiempirical quantum methods offer an alternative, although their accuracy d...

F. Stavarache, S. Calero, J. M. Vicent-Luna · 0 citations

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