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Development and Testing of an All-Atom Force Field for Diketopyrrolopyrrole Polymers with Conjugated Substituents

[Image: see text] We develop an all-atom force field for a series of diketopyrrolopyrrole polymers with two aromatic pyridine substituents and a variable number of π-conjugated thiophene units in the backbone (DPP2PymT), used as donor materials in organic photovoltaic devices. Available intrafragmen...

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Detalles Bibliográficos
Autores principales:	Sundaram, Vivek, Lyulin, Alexey V., Baumeier, Björn
Formato:	Online Artículo Texto
Lenguaje:	English
Publicado:	American Chemical Society 2020
Acceso en línea:	https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7720275/ https://www.ncbi.nlm.nih.gov/pubmed/33211500 http://dx.doi.org/10.1021/acs.jpcb.0c06787

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