All-atom Force Field for Diketopyrrolopyrrole Polymers with Conjugated Substituents
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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.
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figshare创建时间：
2020-07-23
