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Simulation of Liquids with the Tight-Binding Density-Functional Approach and Improved Atomic Charges

by Cuny, Jérôme, Cerda Calatayud, Jesus, Ansari, Narjes, Hassanali, Ali A, Rapacioli, Mathias, Simon, Aude
Published in The journal of physical chemistry. B (27.08.2020)

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