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Interplay of structural dynamics and electronic effects in an engineered assembly of pentacene in a metal-organic framework.
Chem Sci. 2021 Feb 8;12(12):4477-4483. doi: 10.1039/d0sc07073d.
Chem Sci. 2021.
PMID: 34168750
Free PMC article.
Efficient Surface Hopping Approach for Modeling Charge Transport in Organic Semiconductors.
Roosta S, Ghalami F, Elstner M, Xie W.
Roosta S, et al. Among authors: ghalami f.
J Chem Theory Comput. 2022 Mar 8;18(3):1264-1274. doi: 10.1021/acs.jctc.1c00944. Epub 2022 Feb 18.
J Chem Theory Comput. 2022.
PMID: 35179894
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Di- and Tetracyano-Substituted Pyrene-Fused Pyrazaacenes: Aggregation in the Solid State.
Ueberricke L, Ciubotaru I, Ghalami F, Mildner F, Rominger F, Elstner M, Mastalerz M.
Ueberricke L, et al. Among authors: ghalami f.
Chemistry. 2020 Sep 4;26(50):11634-11642. doi: 10.1002/chem.202002382. Epub 2020 Jul 30.
Chemistry. 2020.
PMID: 32459010
Free PMC article.
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Triptycene End-Capped Benzothienobenzothiophene and Naphthothienobenzothiophene.
Ueberricke L, Schwarz J, Ghalami F, Matthiesen M, Rominger F, Elbert SM, Zaumseil J, Elstner M, Mastalerz M.
Ueberricke L, et al. Among authors: ghalami f.
Chemistry. 2020 Oct 1;26(55):12596-12605. doi: 10.1002/chem.202001125. Epub 2020 Sep 11.
Chemistry. 2020.
PMID: 32368815
Free PMC article.
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Evaluating the Effects of Geometry and Charge Flux in Force Field Modeling.
Sedghamiz E, Ghalami F.
Sedghamiz E, et al. Among authors: ghalami f.
J Phys Chem A. 2018 May 17;122(19):4647-4653. doi: 10.1021/acs.jpca.7b12198. Epub 2018 May 4.
J Phys Chem A. 2018.
PMID: 29698601
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