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Published in 2022 at "Journal of Computational Chemistry"
DOI: 10.1002/jcc.26849
Abstract: Nanodiamonds (NDs) are modern high‐potential materials relevant for applications in biomedicine, photocatalysis, and various other fields. Their electronic surface properties, especially in the liquid phase, are key to their function in the applications, but we…
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Keywords:
adsorbates cluster;
formation electronic;
effects oxidative;
cluster formation ... See more keywords
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Published in 2017 at "Chemical Physics"
DOI: 10.1016/j.chemphys.2017.09.003
Abstract: Abstract Results of systematic molecular dynamics studies of ethanol-water mixtures, over the entire concentration range, were reported previously that agree with experimental X-ray diffraction data. These simulated systems are analyzed in this work to examine…
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Keywords:
water mixtures;
water;
percolation;
cluster formation ... See more keywords
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Published in 2019 at "Vacuum"
DOI: 10.1016/j.vacuum.2019.02.007
Abstract: Abstract Expansion of the condensing copper vapor into vacuum from a high-temperature source is studied for transient and near-continuum flow regimes within the direct simulation Monte Carlo method. Kinetic approach, which assumes cluster formation/decay description…
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Keywords:
cluster;
cluster formation;
jet;
copper vapor ... See more keywords
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Published in 2022 at "ACS Omega"
DOI: 10.1021/acsomega.2c04278
Abstract: Nitric acid (NA) has previously been shown to affect atmospheric new particle formation; however, its role still remains highly uncertain. Through the employment of state-of-the-art quantum chemical methods, we study the (acid)1–2(base)1–2 and (acid)3(base)2 clusters…
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Keywords:
role;
cluster formation;
acid;
cluster ... See more keywords
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Published in 2025 at "ACS Omega"
DOI: 10.1021/acsomega.5c02147
Abstract: Iodine-driven nucleation is thought to be a significant source of new particle formation, especially in marine and polar regions. Despite numerous studies, the mechanism is still not fully understood. To shed further light on this,…
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Keywords:
iodine oxides;
iodine;
nucleation;
cluster formation ... See more keywords
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Published in 2024 at "Nature Communications"
DOI: 10.1038/s41467-024-49955-x
Abstract: Cluster formation of microscopic swimmers is key to the formation of biofilms and colonies, efficient motion and nutrient uptake, but, in the absence of other interactions, requires high swimmer concentrations to occur. Here we experimentally…
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Keywords:
designing highly;
cluster formation;
cluster;
shape ... See more keywords
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Published in 2021 at "Scientific Reports"
DOI: 10.1038/s41598-021-93154-3
Abstract: We describe a novel algorithm for information recovery from DNA sequences by using a digital filter. This work proposes a three-part algorithm to decide the k-mer or q-gram word density. Employing a finite impulse response…
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Keywords:
algorithm;
cluster formation;
density;
filter ... See more keywords
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Published in 2019 at "IET Networks"
DOI: 10.1049/iet-net.2018.5102
Abstract: Clustering is one of the mechanisms for routing in wireless sensor networks which reduces the energy and bandwidth requirements to improve network lifetime. A centralised cluster head selection and distributed cluster formation scheme by using…
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Keywords:
cluster;
cluster head;
selection;
cluster formation ... See more keywords
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Published in 2018 at "Journal of Chemical Physics"
DOI: 10.1063/1.5020986
Abstract: Natural abundance 29Si two-dimensional magic-angle flipping (2D MAF) NMR spectra were measured in a series of ten cesium silicate glass compositions xCs2O·(1 − x)SiO2, where x is 0.067, 0.113, 0.175, 0.179, 0.218, 0.234, 0.263, 0.298,…
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Keywords:
cesium silicate;
cations cesium;
modifier cations;
cluster formation ... See more keywords
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Published in 2024 at "Physics of Fluids"
DOI: 10.1063/5.0222569
Abstract: A free argon jet flow accompanied by small clusters formation is studied with the direct simulation Monte Carlo method. Some near-continuum flow regimes characterized by Knudsen numbers in the 2×10−4−2×10−3 range are considered. A model…
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Keywords:
cluster formation;
cluster;
free argon;
formation ... See more keywords
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Published in 2025 at "Chinese Physics C"
DOI: 10.1088/1674-1137/ae042c
Abstract: In this study, based on the Wentzel-Kramers-Brillouin (WKB) theory, by parameterizing the assault frequency as a function of the decay energy and charge radius of parent nucleus, with the decay preformation factor being calculated through…
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Keywords:
formation model;
decay half;
cluster formation;
model ... See more keywords