"Quantum Mechanics Enables ""Freedom of Design"" in Molecular Property Space"

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Authors: Leonardo Medrano Sandonas, Johannes Hoja, Brian G. Ernst, Alvaro Vazquez-Mayagoitia, Robert A. DiStasio Jr., and Alexandre Tkatchenko

Journal publisher: ChemRxiv

Published year: 2021

DOI identifier: 10.26434/chemrxiv-2021-q9rc2