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Journal: Molecules, 2018
Volume: 23
Number: 2958
2958
Article: Interfacing CRYSTAL/AMBER to Optimize QM/MM Lennard–Jones Parameters for Water and to Study Solvation of TiO₂ Nanoparticles
Authors: by Asmus Ougaard Dohn, Daniele Selli, Gianluca Fazio, Lorenzo Ferraro, Jens Jørgen Mortensen, Bartolomeo Civalleri and Cristiana Di Valentin
Link: https://www.mdpi.com/1420-3049/23/11/2958

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