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20222024
most cited-Machine Learning to Elevate DFT-based Potentials and a Force Field to the CCSD(T) Level Illustrated for Ethanol

24 citations · 51 across the 6 of their papers we have counts for

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cond-mat.mtrl-sci2024★ 1 cited

A Journey with THeSeuSS: Automated Python Tool for Modeling IR and Raman Vibrational Spectra of Molecules and Solids

Ariadni Boziki, Frédéric Ngono Mebenga, Philippe Fernandes +1

Vibrational spectroscopy is an indispensable analytical tool that provides structural fingerprints for molecules, solids, and interfaces thereof. This study introduces THeSeuSS (TH…