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Atomistic IDTBR force fields

dataset
posted on 19.01.2021, 06:51 by Anders Skovbo Gertsen
Models for the O-IDTBR and EH-IDTBR small-molecule acceptors for organic solar cells and organic transistors based on the OPLS-AA force field. Includes force field files (.itp) and structure files (.gro) for the GROMACS molecular dynamics software. These are part of the collection found at https://doi.org/10.11583/DTU.c.5254236.

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