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Mireia Segado-Centellas

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Open access Aug 2026

POMsDB: a QM derived molecular properties and parameters database for Polyoxometalates

Polyoxometalates (POMs) are an important class of anionic inorganic compounds because of their rich structural chemistry and properties. POMsDB is a freely accessible database for POMs that collects molecular properties (optimized atomic coordinates, energies, IR spectrum, atomic charges) and force-field (FF) parameter...

Mireia Segado-Centellas, Albert Masip-Sánchez, C. Bo · Scientific Data · 0 citations