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Doemer, M., Liberatore, E., Knaup, J. M., Tavernelli, I., & Rothlisberger, U. (2013). In situ parameterisation of SCC-DFTB repulsive potentials by iterative Boltzmann inversion. Molecular Physics, 111(22-23), 3595–3607. https://doi.org/10.1080/00268976.2013.842011

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