Martini 3 coarse-grained force field for poly(<i>para</i>-phenylene ethynylene)s-Reference-Cited by-同舟云学术

Martini 3 coarse-grained force field for poly(para-phenylene ethynylene)s

Author:

Brosz Matthias¹²^ORCID,Michelarakis Nicholas¹,Bunz Uwe H. F.³,Aponte-Santamaría Camilo¹,Gräter Frauke¹²^ORCID

Affiliation:

1. Heidelberg Institute for Theoretical Studies, Am Schlosswolfsbrunnenweg 35, 69118 Heidelberg, Germany

2. Interdisciplinary Center for Scientific Computing, Heidelberg University, Im Neuenheimer Feld 205, 69120 Heidelberg, Germany

3. Institute of Organic Chemistry, Heidelberg University, Im Neuenheimer Feld 270, 69120 Heidelberg, Germany

Abstract

From fine to coarse: insights into the large-scale assembly of poly(para-phenylene ethynylene)s from coarse-grained molecular dynamics simulations.

Funder

Deutsche Forschungsgemeinschaft

Ministerium für Wissenschaft, Forschung und Kunst Baden-Württemberg

Klaus Tschira Stiftung

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

Reference88 articles.

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