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The Effect of Aqueous Solvation upon α-Helix Formation for Polyalanines
The Journal of Physical Chemistry B, 2007The incremental free energies of aqueous solution for acetyl(ala)NNH2 in its extended unfolded and alpha-helical conformations are compared using the SM5.2 solvation method of Cramer and Truhlar. A combination of density functional theory (DFT) at the B3LYP/D95(d,p) and AM1 has been employed using the ONIOM method. The incremental solvation energies of
Pedro, Salvador +2 more
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Delayed formation of solvated electrons in basic n-propylamine
Radiation Physics and Chemistry (1977), 1980Abstract Nanosecond pulse radiolysis and laser flash-photolysis of n-propylamine (PrNH2) in presence of amide were studied. The species es−—the isolated solvated electron—the pair (es−, Na+) and the ion Na- are successively produced in both cases and are identified by specific spectra in the visible and IR regions.
J.A. Delaire, M.O. Delcourt, J. Belloni
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Solubility and solvate formation of lithium hexafluoroarsenate in acetonitrile
Journal of Solution Chemistry, 1977The solubility of LiAsF6 in CH3CN has been determined by the use of cooling curves. A partial phase diagram is presented which reveals a distinct dystectic corresponding to the formation of tetraacetonitrilolithium hexafluoroarsenate.
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Chemosphere, 2013
Abraham solvation equations find widespread use in environmental chemistry and pharmaco-chemistry. The coefficients in these equations, which are solvent (system) descriptors, are usually determined by fitting experimental data. To simplify the determination of these coefficients in Abraham solvation equations, this study derives equations, based on ...
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Abraham solvation equations find widespread use in environmental chemistry and pharmaco-chemistry. The coefficients in these equations, which are solvent (system) descriptors, are usually determined by fitting experimental data. To simplify the determination of these coefficients in Abraham solvation equations, this study derives equations, based on ...
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Polymorph formation from solvate desolvation
Journal of Thermal Analysis and Calorimetry, 2007Beatrice Nicolaï +6 more
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Prediction of Hydrate and Solvate Formation Using Statistical Models
Crystal Growth and Design, 2016László Fábián +2 more
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