All-atom Force Field for Diketopyrrolopyrrole Polymers with Conjugated Substituents
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https://figshare.com/articles/All-atom_Force_Field_for_Diketopyrrolopyrrole_Polymers_with_Conjugated_Substituents/12696398/1
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资源简介：
An all-atom force field was developed for a series of diketopyrrolopyrrole polymers with two aromatic pyridine substituents and one, two, or three conjugated thiophene units in the backbone.The data provides the GROMACS topology files for 50-mers of each structure, with 2-hexyldecyl side chains.
提供机构：
figshare
创建时间：
2020-07-23
