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Efficient Surface Hopping Approach for Modeling Charge Transport in Organic Semiconductors.
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
Interplay of structural dynamics and electronic effects in an engineered assembly of pentacene in a metal-organic framework.
Haldar R, Kozlowska M, Ganschow M, Ghosh S, Jakoby M, Chen H, Ghalami F, Xie W, Heidrich S, Tsutsui Y, Freudenberg J, Seki S, Howard IA, Richards BS, Bunz UHF, Elstner M, Wenzel W, Wöll C.
Haldar R, et al. Among authors: ghalami f.
Chem Sci. 2021 Feb 8;12(12):4477-4483. doi: 10.1039/d0sc07073d.
Chem Sci. 2021.
PMID: 34168750
Free PMC article.
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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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