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Published in 2018 at "Applied Surface Science"
DOI: 10.1016/j.apsusc.2017.08.150
Abstract: Abstract Constructing smart surfaces with responsive polymers capable of dynamically and reversibly changing their chemical and physical properties by responding to the recognition of biomolecules remains a challenging task. And, the key to achieving this…
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Keywords:
acid;
surface;
macroscopic properties;
sialic acid ... See more keywords
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Published in 2021 at "Carbon"
DOI: 10.1016/j.carbon.2021.02.097
Abstract: Abstract Large-area graphene synthesized by a chemical vapor deposition (CVD) method is promising for a flexible, stretchable transparent electrode but suffers from structural defects such as grain boundaries, which causes to degrade its physical properties.…
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Keywords:
transparent;
single crystalline;
graphene;
transparent electrode ... See more keywords
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Published in 2021 at "Geochimica et Cosmochimica Acta"
DOI: 10.1016/j.gca.2021.05.035
Abstract: Abstract Soil Organic Matter (SOM) is composed of a complex and heterogeneous mixture of organic compounds. It has been imperative to understand the structure, water accessibility, conformation, interfaces and reactivity of SOM with its surrounding…
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Keywords:
organic matter;
macroscopic properties;
water;
soil organic ... See more keywords
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Published in 2023 at "Journal of Chemical Theory and Computation"
DOI: 10.1021/acs.jctc.2c00975
Abstract: The use of molecular dynamics simulations is becoming ever more widespread; however, the application of this to pure triacylglyceride (TAG) systems is not. In this study, we are presenting the development, and validation, of a…
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Keywords:
force field;
coarse grained;
macroscopic properties;
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Published in 2022 at "Nature Communications"
DOI: 10.1038/s41467-021-27842-z
Abstract: Deep eutectic solvents (DESs) are an emerging class of non-aqueous solvents that are potentially scalable, easy to prepare and functionalize for many applications ranging from biomass processing to energy storage technologies. Predictive understanding of the…
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Keywords:
eutectic solvents;
evolution;
choline chloride;
macroscopic properties ... See more keywords
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Published in 2018 at "AIP Advances"
DOI: 10.1063/1.5041283
Abstract: Investigating the relationship between microstructure and macroscopic properties of epoxy resin (EP) materials for high-voltage insulation at the molecular level can provide theoretical guidance for the synthetic design of EP. Here, using diglycidyl ether (DGEBA)…
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Keywords:
molecular dynamics;
dgeba mthpa;
mthpa;
crosslinking density ... See more keywords
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Published in 2024 at "Quantitative Finance"
DOI: 10.1080/14697688.2025.2541859
Abstract: Macroscopic properties of equity markets affect the performance of active equity strategies but many are not adequately captured by conventional models of financial mathematics and econometrics. Using the CRSP Database of the US equity market,…
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Keywords:
portfolio;
performance;
macroscopic;
properties equity ... See more keywords
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Published in 2023 at "Agronomy"
DOI: 10.3390/agronomy13041044
Abstract: Soil organic matter (SOM) is composed of a complex and heterogeneous mixture of organic compounds, which poses a challenge in understanding it on an atomistic level. Based on the progress of molecular dynamics simulations and…
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Keywords:
macroscopic properties;
humic substances;
using modeling;
properties humic ... See more keywords
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Published in 2024 at "Polymers"
DOI: 10.3390/polym16070961
Abstract: Biaxially oriented polyamide 6 (BOPA6) films were prepared by extrusion casting and biaxial stretching with polyamide 6. The effects of different biaxially oriented on the macroscopic properties of BOPA6 were investigated by characterizing the rheological,…
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Keywords:
properties bopa6;
biaxial stretching;
macroscopic properties;
chain ... See more keywords