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Symons, Benjamin, Bane, Michael and Popelier, Paul LA
DL_FFLUX: a parallel, quantum chemical topology force field.
Journal of Chemical Theory and Computation.
(Submitted)
Andrés, Juan, Boto, Roberto A, Ayers, Paul W, Carbó-Dorca, Ramon, Chermette, Henry, Cioslowski, Jerzy, Contreras-Garcia, Julia, Cooper, DL ORCID: 0000-0003-0639-0794, Frenking, Gernot, Gatti, Carlo et al (show 20 more authors)
(2019)
Nine questions on energy decomposition analysis.
Journal of Computational Chemistry, 40 (26).
pp. 2248-2283.