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Open AccessJournal ArticleDOI

Thermal behaviour of citric acid and isomeric aconitic acids

TLDR
In this paper, the thermal decomposition of citric acid, trans-and cis-aconitic acid has been studied using the TG-MS, TG-FTIR and DSC techniques.
Abstract
Thermal decomposition of citric acid, trans- and cis-aconitic acid has been studied using the TG-MS, TG-FTIR and DSC techniques. The measurements were carried out in an argon atmosphere over a temperature range of 293–673 K. The influence of the acid structures and configurational geometry on stability of the transition products and pathways of thermal transformations of the studied compounds studied is discussed.

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Phase Transition Enthalpy Measurements of Organic and Organometallic Compounds. Sublimation, Vaporization and Fusion Enthalpies From 1880 to 2015. Part 1. C1-C10

TL;DR: A compendium of phase change enthalpies including fusion, vaporization, and sublimation was published in 2010 as mentioned in this paper, which included organic, organometallic, and a few inorganic compounds.
Journal ArticleDOI

Commercial antioxidants and thermal stability evaluations

TL;DR: In this article, a TG/DTA technique with both dynamic and isothermal (110°C) analysis methods was used to evaluate the thermal stability of commercial antioxidants, showing that synthetic antioxidants exhibited thermal resistances in the following order: PG, TBHQ, BHT, BHA and TBHQ volatilized during the first few hours of the analysis.
Journal ArticleDOI

Synthesis of Fe/Fe3C nanoparticles encapsulated in nitrogen-doped carbon with single-source molecular precursor for the oxygen reduction reaction

TL;DR: Ammonium ferric citrate (AFC) was used as a single-source molecular precursor to prepare Fe/Fe 3 C nanoparticles encapsulated in nitrogen-doped carbon by pyrolysis in Ar atmosphere followed by acid-leaching as mentioned in this paper.
References
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Journal ArticleDOI

Density‐functional thermochemistry. III. The role of exact exchange

TL;DR: In this article, a semi-empirical exchange correlation functional with local spin density, gradient, and exact exchange terms was proposed. But this functional performed significantly better than previous functionals with gradient corrections only, and fits experimental atomization energies with an impressively small average absolute deviation of 2.4 kcal/mol.
Journal ArticleDOI

Development of the Colle-Salvetti correlation-energy formula into a functional of the electron density

TL;DR: Numerical calculations on a number of atoms, positive ions, and molecules, of both open- and closed-shell type, show that density-functional formulas for the correlation energy and correlation potential give correlation energies within a few percent.
Book

Density-functional theory of atoms and molecules

TL;DR: In this paper, a review of current studies in density functional theory and density matrix functional theory is presented, with special attention to the possible applications within chemistry, including the concept of an atom in a molecule, calculation of electronegativities from the Xα method, pressure, Gibbs-Duhem equation, Maxwell relations and stability conditions.
Book

Introduction to Computational Chemistry

Frank Jensen
TL;DR: In this article, the authors present an overview of the Hohenberg-Kohn Theorem and the Adiabatic Connection Formula in terms of the Variational Principle and its application in the context of wave function analysis.
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