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EH-IDTBR.gro (11.91 kB)
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EH-IDTBR.itp (54.22 kB)
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ffbonded_IDTBR.itp (16.4 kB)
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O-IDTBR.gro (7.78 kB)
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O-IDTBR.itp (54.22 kB)
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Atomistic IDTBR force fields
dataset
posted on 2021-01-19, 06:51 authored by Anders Skovbo GertsenModels 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.
