Global ETD Search
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Showing 1 to 7 of 7 for “"reaction enthalpies"”.
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A computational study of the structure, bonding, and thermochemical properties of primary Ozonides derived from substituted Phenol and Thiophenol
… and hydroxythiophenol ozonolysis yields reaction barriers of 56.8, 11.2 and 10.4 kcal/mol for the formation of the most stable POZs, respectively. The lowest energy POZs for chlorophenol, dihydroxybenzene and hydroxythiophenol are located at 19.1, 22.1 and 19.4 kcal/mol below the …
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Characterization of ETBE + Cl and Isooctane + Cl Combustion Products using Synchrotron Photoionization
… was performed via characterization of the reaction species photoionization spectra and kinetic traces, from which the products and also the intermediates were identified. Relevant reaction dynamics on potential energy surfaces were calculated, reaction enthalpies of each individual step …
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Development of Mass Spectrometric Methods for the Analysis of Components and Complex Interactions in Biological Systems
… blue. Bond dissociation energies and apparent reaction enthalpies for the fragmentation pathways of lithiated acylglycerols were experimentally determined by collision activation in a triple quadrupole mass spectrometer. A developed novel derived effective path length approach for predicting …
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Reaction Synthesis of HfB2 in a Variety of Metallic Environments
… scanning calorimetry (DSC) to reveal reaction initiation temperatures and enthalpies of reaction; and optical pyrometry to measure maximum reaction temperatures. Overall, DSC results indicated melting preceded reaction initiation; suggesting that the reaction initiation temperature for …
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Growth of unsaturated, cyclic, and polycyclic aromatic hydrocarbons: Reactions under the conditions of the interstellar medium
… work, growth mechanisms based on ion-molecule reactions between cationic PAHs/hydrocarbons and methyne (CH) were investigated. The reaction type and the precursor were derived and selected from known chemical and physical properties of the ISM. These chemical reactions were characterised by …
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Thermodynamics of metal hydrides for hydrogen storage applications using first principles calculations
… of metal hydrides have been focused on lowering reaction enthalpies of a metal hydride by mixing other compounds. However, finding out metal hydride mixtures satisfying favorable thermodynamics among a large number of possible metal hydride mixtures is inefficient and thus a systematic approach …
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Studies Toward A Detailed Understanding Of The Intrinsic Properties Of Nucleic Acid Constituents: Gas-Phase Conformations, Energetics, And Glycosidic Bond Stability
… energetics, activation energies (AEs) and reaction enthalpies (ΔHrxns), associated with the N-glycosidic bond cleavage processes to be determined. The measured AEs and ΔHrxns of the protonated DNA vs. RNA nucleosides indicate that the 2'-hydroxyl substituent typically increases these values …