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Published in 2022 at "Molecular Informatics"
DOI: 10.1002/minf.202100255
Abstract: Quantitative Structure‐Property Relationships (QSPRs) have found applications in many areas of chemistry and engineering as effective prediction methods. QSPRs use molecular descriptors to simplify complex molecular properties to a single value and have been used…
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Keywords:
new qsprs;
heat capacity;
liquid heat;
qsprs liquid ... See more keywords
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1
Published in 2018 at "European Biophysics Journal"
DOI: 10.1007/s00249-018-1340-0
Abstract: The nature of water on the surface of a macromolecule is reflected in the temperature dependence of the heat effect, i.e., the heat capacity change, ΔCp, that accompanies its removal on forming a complex. The…
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Keywords:
hydration differences;
surface;
heat;
heat capacity ... See more keywords
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Published in 2019 at "Adsorption"
DOI: 10.1007/s10450-019-00045-1
Abstract: In this paper, we report a simulation study of the effect of the herringbone orientational phase transition on the isosteric heat of adsorption and the heat capacity of the nitrogen adsorption monolayer on graphite surface.…
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Keywords:
adsorption;
transition;
phase transition;
heat ... See more keywords
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Published in 2025 at "International Journal of Thermophysics"
DOI: 10.1007/s10765-025-03521-9
Abstract: This study aimed to accurately measure the density (ρ), normal spectral emissivity (ε), heat capacity at constant pressure (Cp), and thermal conductivity (κ) of the Ti–6 mass % Al–4 mass % V (Ti64) melt by…
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Keywords:
magnetic field;
static magnetic;
heat capacity;
thermal conductivity ... See more keywords
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Published in 2017 at "Journal of Low Temperature Physics"
DOI: 10.1007/s10909-016-1737-z
Abstract: The heat capacity of 1D chains of nitrogen and methane molecules (adsorbed in the outer grooves of bundles of closed-cap single-walled carbon nanotubes) has been studied in the temperature ranges 2–40 and 2–60 K, respectively. The…
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Keywords:
temperature;
capacity;
methane;
capacity chains ... See more keywords
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Published in 2019 at "Journal of Low Temperature Physics"
DOI: 10.1007/s10909-019-02218-2
Abstract: In this work, we have studied the thermodynamic properties of a GaAs quantum dot (QD) with an effective-parabolic potential. We have analytically obtained entropy, heat capacity and average energy of the QD in the presence…
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Keywords:
magnetic field;
heat capacity;
thermodynamic properties;
field ... See more keywords
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Published in 2018 at "Journal of Superconductivity and Novel Magnetism"
DOI: 10.1007/s10948-018-4649-0
Abstract: We report mainly the heat capacity and Mössbauer study of self-flux grown FeTe single crystal, which is a ground state compound of the Fe chalcogenides superconducting series i.e. FeTe1−x(Se/S)x The as grown FeTe single crystal…
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Keywords:
capacity;
fete single;
single crystal;
ssbauer ... See more keywords
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Published in 2024 at "Journal of Solution Chemistry"
DOI: 10.1007/s10953-024-01412-5
Abstract: In previous articles (Partanen and Partanen in J. Chem. Eng. Data 65: 5226 − 5239 (2020), J. Solution Chem. 52: 1352 − 1385 (2023)), we presented a traceable and transparent three-parameter model for thermodynamic activity and enthalpy quantities in…
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Keywords:
partial molar;
heat capacity;
saturated solutions;
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Published in 2017 at "Journal of Thermal Analysis and Calorimetry"
DOI: 10.1007/s10973-017-6447-5
Abstract: In treating the experimental data on the heat capacity of solids, the essence of any model application is in the searching for the scaling factors (ki or 1/Θi) which transform a set of independent functions…
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Keywords:
heat;
model;
heat capacity;
temperature scaling ... See more keywords
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Published in 2018 at "Journal of Thermal Analysis and Calorimetry"
DOI: 10.1007/s10973-018-7590-3
Abstract: As a universal feature of glass, its low-energy inelastic scattering spectra show a broad response known as the boson peak (BP). Since the BP is the peak of g(E)/E2, in which g(E) is the vibrational…
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Keywords:
glass;
heat capacity;
borate glass;
alkali metal ... See more keywords
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Published in 2019 at "Journal of Thermal Analysis and Calorimetry"
DOI: 10.1007/s10973-018-7980-6
Abstract: The thermo-physical properties of NaNO3/KNO3 (solar salt) added with Al2O3 and TiO2 nanoparticles as phase change material in thermal energy storage system were investigated. Initially the Al2O3 and TiO2 nanoparticles were added to NaNO3/KNO3 (60:40)…
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Keywords:
phase change;
latent heat;
al2o3 tio2;
nano3 kno3 ... See more keywords