Browsing by Subject "enthalpy"
Now showing items 1-5 of 5
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Article
Copper(II) removal from aqueous solutions by adsorption on non-treated and chemically modified cactus fibres
(2013)The adsorption efficiency of a biomass by-product (cactus fibres) regarding the removal of copper(II) from aqueous solutions has been investigated before and after its chemical treatment. The chemical treatment of the ...
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Article
Effect of angle strain in conjugated cycloaikenylidenes. Singlet- triplet splitting of cyclobutenylidene and its ground-state intramolecular rearrangements
(1999)The singlet and triplet states of cyclobutenylidene, cyclopenten-3- ylidene, cyclohexen,3-ylidene, and cyclohepten-3-ylidene and some of their isomers (cyclohexen-4-ylidene, cyclohepten-4-ylidene, and cyclohepten-5- ylidene) ...
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Article
Electron affinities of a homologous series of tertiary alkyl radicals and their C-H bond dissociation energies (BDEs)
(2009)Heats of formation have been derived from G3(MP2)//B3LYP and G3MP2B3(+) atomization energies for tert-butyl radical (6R), cubyl radical, bicyclooctyl radical (1R), and tricyclo[3.3.n.03,7]alk-3(7)-yl (n=0-3, 2R-5R) radicals, ...
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Article
Enthalpic Contribution to Protein Stability: Insights from Atom-Based Calculations and Statistical Mechanics
(1995)This chapter discusses published analyses of protein stability based on model compound data and outlines the assumptions that have been made. The enthalpy of protein folding is considered and a thermodynamic cycle is used ...
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Article
Prediction of blood:air and fat:Air partition coefficients of volatile organic compounds for the interpretation of data in breath gas analysis
(2016)In this article, a database of blood:air and fat:air partition coefficients (λ b:a and λ f:a) is reported for estimating 1678 volatile organic compounds recently reported to appear in the volatilome of the healthy human. ...