Atomistic IDTBR force fields
收藏Figshare2021-01-19 更新2026-04-28 收录
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https://figshare.com/articles/dataset/Atomistic_IDTBR_force_fields/13507317
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资源简介：
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.
创建时间：
2021-01-19
