Dr. Elisa Carignani is one of the two winners of the Galileo Galilei International Award for the promotion of scientific research reserved for Young Scholars for the year 2020/2021. The award, promoted by the Rotary District 2071 of Tuscany in collaboration with the Galileo Galilei Award Foundation, is reserved for young researchers who have distinguished […]
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An integrated and user-friendly tool for the parameterization of intra-molecular force fields from quantum mechanical data The energy and its first and second geometrical derivatives obtained by Quantum Mechanical (QM) calculations for a number of conformations of a single molecule in its ground- or excited states are used to parameterize intra-molecular force fields, suitable for […]
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