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First-principles calculations of solid-phase enthalpy of formation of energetic materials [PDF]
Communications ChemistryThe solid-phase enthalpy of formation (∆H f, solid ) of energetic materials was generally predicted from the gas-phase enthalpy of formation (∆H f, gas ) and sublimation enthalpy (∆H sub ).
Lixiang Zhong +5 more
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Thermochemical Study of 1-Methylhydantoin
Molecules, 2022 Using static bomb combustion calorimetry, the combustion energy of 1-methylhydantoin was obtained, from which the standard molar enthalpy of formation of the crystalline phase at T = 298.15 K of the compound studied was calculated.
Juan M. Ledo +3 more
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AppliedChem, 2023 The processes of the sublimation and thermal decomposition of the 1-ethyl-3-methylimidazolium hexafluorophosphate ionic liquid (EMImPF6) were studied by a complex approach including Knudsen effusion mass spectrometry, IR and NMR spectroscopy, and quantum
Anatoliy M. Dunaev +5 more
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Phase transitions properties of N,N-dimethyl-4-nitroaniline
U.Porto Journal of Engineering, 2023 The present work reports an experimental study aiming to determine several thermodynamic properties of fusion and sublimation of the chromophore N,N-dimethyl-4-nitroaniline.
Bruno D. A. Pinheiro +2 more
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Applied Sciences, 2023 This experimental and computational study on the energetic properties of 2-methyl-, 3-methyl-, 4-methoxy- and 5-methoxy-indanones has been carried out using mostly calorimetric techniques and a suitable computational approach.
Ana L. R. Silva +2 more
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Sublimation/vaporization and solvation enthalpies of monosubstituted pyridine derivatives
Chemical Thermodynamics and Thermal Analysis, 2022 Different sectors, including medicine and display technology, utilize substituted pyridines. To establish the quality of products manufactured from pyridines, chemical thermodynamics of the solvation and evaporation enthalpies of the pyridines are ...
Rawand S. Abdullah, Boris N. Solomonov
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Calculation of Crystal-Solution Dissociation Constants
Biomolecules, 2022 The calculation of dissociation constants is an important problem in molecular biophysics. For such a calculation, it is important to correctly calculate both terms of the binding free energy; that is, the enthalpy and entropy of binding.
Sergiy O. Garbuzynskiy +1 more
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Thermodynamic properties of temozolomide in crystalline and gaseous aggregate states
Журнал Белорусского государственного университета: Химия, 2022 Temozolomide (4-methyl-5-oxo-2,3,4,6,8-pentazabicyclo[4,3,0]nona-2,7,9-triene-9-carboxamide) is an active component of antitumor immunosuppressive alkylating drugs, and it used largely for the treatment of various types of malignant tumors, including ...
Yana N. Yurkshtovich, Andrey V. Blokhin
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Molecules, 2021 The determination of the reliable thermodynamic properties of 2-benzoxazolinone derivatives is the main goal of this work. Some correlations are established between the energetic properties determined and the structural characteristics of the title ...
Ana L. R. Silva +2 more
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Thermodynamic properties of L-menthol in crystalline and gaseous states
Тонкие химические технологии, 2020 Objectives. Menthol causes a cooling sensation and reduces the nerve activity when it is applied locally, ingested, or inhaled. This feature explains its extensive use as both an aromatizer and a flavoring agent in food manufacturing, tobacco industry ...
A. V. Blokhin, Ya. N. Yurkshtovich
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