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Strategies for the Development of Conjugated Polymer Molecular Dynamics Force Fields Validated with Neutron and X-ray Scattering.
ACS Polym Au. 2021 Nov 1;1(3):134-152. doi: 10.1021/acspolymersau.1c00027. eCollection 2021 Dec 8.
ACS Polym Au. 2021.
PMID: 36855657
Free PMC article.
Review.
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: pakhnyuk v.
Soft Matter. 2019 Jun 26;15(25):5067-5083. doi: 10.1039/c9sm00807a.
Soft Matter. 2019.
PMID: 31183486
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