Computing Charging and Polarization Energies of Small Organic Molecules Embedded into Amorphous Materials with Quantum Accuracy

J Chem Theory Comput

Jonas Armleder 1, Timo Strunk 2, Franz Symalla 2, Pascal Friederich 2 3, Jorge Enrique Olivares Peña 1, Tobias Neumann 2, Wolfgang Wenzel 1, Artem Fediai 1

• DOI: 10.1021/acs.jctc.1c00036

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