Global ETD Search
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Showing 1 to 8 of 8 for “"activation entropy"”.
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Understanding Allosteric Arginine Mutations Using Macromolecular Rate Theory
… these deviations with the introduction of the activation heat capacity (Δ𝐶𝑃‡) to the rate equation. The activation heat capacity is a consequence of the restriction in conformational freedom along the reaction coordinate, as an enzyme moves from the enzyme-substrate complex to the transition …
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Interactions of platinum compounds with heterocyclic bases.
… associative S.2 mechanism. It was found that the activation entropy and the activation energy for the reactions of platinum complexes in solution are strongly correlated. The energetics of platinum-nitrogen bond dissociation were followed using thermogravimetric analysis. Quantitative data, which …
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Mechanisms of Non-Enzymatic Peptide Bond Formation: Thioester and Transamidation Routes
… and Eyring plots determined the energy of activation, activation enthalpy, and activation entropy to be 9.5 x 10-4 J mor1, 9.5 x 10-4 J mor1, and -1.5 x 10-5 J K-1 mor1, respectively. Both cellular and prebiotic environments undergo constant changes in reaction conditions, and a detailed …
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Dielectric studies of aldehyde group relaxation in some aromatic aldehydes
… or polyethylene has little effect on the activation parameters for the intramolecular process whilst causing a considerable change for the molecular process, the activation parameters forming a sequence based on the efficiency of packing of the polymer chain. While examining steric …
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Quantum chemistry and surface hopping dynamics of azobenzenes
… from Eyring’s transition state theory and activation energy barriers, computed by means of density functional theory. The obtained results are discussed in connection with an experimental study of the thermal cis → trans isomerization of azobenzene derivatives in the presence of gold …
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Substituted aryl glycosides as probes of the mechanism of spontaneous ad enzyme-catalyzed glycoside hydrolysis
… on the large differences in the values of the activation entropy and enthalpy for hydrolysis of the analogously substituted galactosides and glucosides, it is suggested that differences in the hydration structure of these glycosides at the transition state could be contributing to the observed …
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Kinetics and mechanism of hydrolysis of trans- dinitrobis(ethylenediamine)cobalt(III) nitrate and related dinitro complexes of cobalt(III) in high concentrations of acids
… plots were obtained from which the energy of activation was 23.6 + 0.8 kcal. and the activation entropy was 2.9 + 2.3 eu. at the 95% confidence level. Arrhenius plots in hydrochloric, hydrobromic, sulfuric, and nitric acids were curved, the amount of curvature increasing with acid …
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Thermal cis-trans isomerization of azobenzene studied by path sampling and QM/MM stochastic dynamics
… The computational van’t Hoff analysis for the activation entropies was performed to gain further insight into the differential role of solvent for the case of the unsubstituted and the push-pull azobenzene. In agreement with the experiment, it yielded positive activation entropies for …