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- W3006701389 abstract "This work is part of the effort on establishing reliable thermodynamic data for amino acids and, in a broader context, benchmarking first-principles calculations of thermodynamic properties of molecular crystals against reliable experimental data. In this work, crystal heat capacities of l-alanine (CAS RN: 56-41-7), l-valine (CAS RN: 72-18-4), l-isoleucine (CAS RN: 73-32-5), and l-leucine (CAS RN: 61-90-5) were newly measured in the temperature range 262–450 K by Tian–Calvet calorimetry and power-compensation differential scanning calorimetry (DSC) and combined with the critically assessed literature data to obtain the reference data from near 0 to 450 K. The heat capacity measurements were accompanied by thermogravimetric analysis to determine the decomposition temperatures of the studied amino acids and phase behavior studies by X-ray powder diffraction and heat-flux DSC to identify the initial crystal structures and their possible transformations. The crystal heat capacities calculated by combining the..." @default.
- W3006701389 created "2020-03-06" @default.
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- W3006701389 date "2020-02-25" @default.
- W3006701389 modified "2023-10-14" @default.
- W3006701389 title "Heat Capacities of <scp>l</scp>-Alanine, <scp>l</scp>-Valine, <scp>l</scp>-Isoleucine, and <scp>l</scp>-Leucine: Experimental and Computational Study" @default.
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- W3006701389 doi "https://doi.org/10.1021/acs.jced.9b01086" @default.
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