Atomistic IDTBT force fields
收藏DataCite Commons2023-07-11 更新2025-04-10 收录
下载链接：
https://data.dtu.dk/articles/dataset/Atomistic_IDTBT_force_fields/13507314
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资源简介：
Models for the C16-IDTBT and 2EH-IDTBT polymers 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.
提供机构：
Technical University of Denmark
创建时间：
2021-01-19
