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Correction: Elucidating the influence of side chains on the self-assembly of semi-flexible mesogens.
Chem Commun (Camb)
December 2024
Institut de Sciences des Matériaux de Mulhouse, CNRS UMR 7361, 15 rue Jean Starcky, 68057 Mulhouse, France.
Correction for 'Elucidating the influence of side chains on the self-assembly of semi-flexible mesogens' by Raluca I. Gearba , , 2025, https://doi.org/10.
View Article and Find Full Text PDFCoarse-Grained Modeling of the Water/Alkane Wetting and Dewetting Processes on Fluorinated Coatings.
Langmuir
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Siemens Industry Software Netherlands B.V, The Hague 2595 BN, Netherlands.
This work provides a framework to digitally assess any droplet's static and dynamic contact angles on coatings and polymeric substrates. We are introducing a new dissipative particle dynamics coarse-grained model to attain the spatiotemporal conditions and the coexistence of different phases that such investigation dictates. Two computational techniques are additionally developed; a robust technique to calculate the static contact angle using density profiles and a perturbation method to evaluate dynamic contact angles.
View Article and Find Full Text PDFIntermolecular hydrogen bonding delineates the stability of non-canonical adenine base pairs: a first-principles study.
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Department of Chemistry, New Mexico Highlands University, Las Vegas, NM 87701, USA.
Non-canonical nucleobase pairs differ from canonical Watson-Crick (WC) pairs in their hydrogen bonding patterns. This study uses density functional theory with empirical dispersion correction to examine the stability and electronic properties of free adenine dimers stabilized by hydrogen bonds along the WC, Sugar (S), and Hoogsteen (H) edges. Dispersion correction is crucial for accurate interaction energy evaluation.
View Article and Find Full Text PDFAuthor Correction: Synergistic wall digestion and cuproptosis against fungal infections using lywallzyme-induced self-assembly of metal-phenolic nanoflowers.
Nat Commun
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MOE Key Laboratory of Macromolecular Synthesis and Functionalization, Department of Polymer Science and Engineering, Zhejiang University, Hangzhou, PR China.
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