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Improved force field for molecular modeling of poly(3-hexylthiophene).
J Phys Chem B. 2013 Aug 29;117(34):10035-45. doi: 10.1021/jp404629a. Epub 2013 Aug 15.
J Phys Chem B. 2013.
PMID: 23899343
Interfacial properties of free-standing poly(3-hexylthiophene) films.
Yimer YY, Dhinojwala A, Tsige M.
Yimer YY, et al.
J Chem Phys. 2012 Jul 28;137(4):044703. doi: 10.1063/1.4736571.
J Chem Phys. 2012.
PMID: 22852640
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Static and dynamic properties of poly(3-hexylthiophene) films at liquid/vacuum interfaces.
Yimer YY, Tsige M.
Yimer YY, et al.
J Chem Phys. 2012 Nov 28;137(20):204701. doi: 10.1063/1.4767395.
J Chem Phys. 2012.
PMID: 23206021
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Epitaxial transfer through end-group coordination modulates the odd-even effect in an alkanethiol monolayer assembly.
Yimer YY, Jha KC, Tsige M.
Yimer YY, et al.
Nanoscale. 2014 Apr 7;6(7):3496-502. doi: 10.1039/c3nr05671f.
Nanoscale. 2014.
PMID: 24553572
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LK peptide side chain dynamics at interfaces are independent of secondary structure.
Donovan MA, Lutz H, Yimer YY, Pfaendtner J, Bonn M, Weidner T.
Donovan MA, et al. Among authors: yimer yy.
Phys Chem Chem Phys. 2017 Nov 1;19(42):28507-28511. doi: 10.1039/c7cp05897g.
Phys Chem Chem Phys. 2017.
PMID: 29043310
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Combining Molecular and Spin Dynamics Simulations with Solid-State NMR: A Case Study of Amphiphilic Lysine-Leucine Repeat Peptide Aggregates.
Emani PS, Yimer YY, Davidowski SK, Gebhart RN, Ferreira HE, Kuprov I, Pfaendtner J, Drobny GP.
Emani PS, et al. Among authors: yimer yy.
J Phys Chem B. 2019 Dec 26;123(51):10915-10929. doi: 10.1021/acs.jpcb.9b09245. Epub 2019 Dec 16.
J Phys Chem B. 2019.
PMID: 31769684
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Ultrafast Reorientational Dynamics of Leucine at the Air-Water Interface.
Donovan MA, Yimer YY, Pfaendtner J, Backus EH, Bonn M, Weidner T.
Donovan MA, et al. Among authors: yimer yy.
J Am Chem Soc. 2016 Apr 27;138(16):5226-9. doi: 10.1021/jacs.6b01878. Epub 2016 Apr 18.
J Am Chem Soc. 2016.
PMID: 27057584
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Assessment of molecular dynamics simulations for amorphous poly(3-hexylthiophene) using neutron and X-ray scattering experiments.
Wolf CM , Kanekal KH , Yimer YY , Tyagi M , Omar-Diallo S , Pakhnyuk V , Luscombe CK , Pfaendtner J , Pozzo LD .
Wolf CM , et al. Among authors: yimer yy.
Soft Matter. 2019 Jun 26;15(25):5067-5083. doi: 10.1039/c9sm00807a.
Soft Matter. 2019.
PMID: 31183486
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