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  • 1
    Electronic Resource
    Electronic Resource
    Systematic errors in free energy perturbation calculations due to a finite sample of configuration space: sample-size hysteresis (1991)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 95 (1991), S. 6670-6675 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100170a054
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  • 2
    Electronic Resource
    Electronic Resource
    Potentials of average force for an interaction site model of aqueous alcohols: a molecular model for the hydrophobic bond (1988)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 92 (1988), S. 6386-6399 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100333a041
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  • 3
    Electronic Resource
    Electronic Resource
    Enthalpy of dilution of aqueous sodium sulfate and lithium sulfate (1974)
    s.l. : American Chemical Society
    Journal of chemical & engineering data 19 (1974), S. 386-388 
    Details
    ISSN: 1520-5134
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/je60063a022
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  • 4
    Electronic Resource
    Electronic Resource
    Heat capacity of aqueous iron dichloride from 349 to 597 K (1988)
    s.l. : American Chemical Society
    Journal of chemical & engineering data 33 (1988), S. 301-306 
    Details
    ISSN: 1520-5134
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Process Engineering, Biotechnology, Nutrition Technology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/je00053a023
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  • 5
    Electronic Resource
    Electronic Resource
    Viscosities of solutions of electrolytes and non-electrolytes in ethylene carbonate at 40°C (1982)
    Springer
    Journal of solution chemistry 11 (1982), S. 1-15 
    Details
    ISSN: 1572-8927
    Keywords: Ethylene carbonate ; viscosity ; Jones-Dole equation ; nonaqueous solvent ; solvation ; tetraalkylammonium ions ; alkali metal halides ; electrolytes ; non-electrolytes ; partial molal volumes ; high dielectric constant solvents
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The viscosities of dilute solutions of a number of tetraalkylammonium and alkali metal halides, tetraphenylarsonium chloride, sodium tetraphenylborate, tetrabutylammonium tetrabutylborate, water, and 3,3-diethylpentane have been measured in the high-dielectric constant solvent, ethylene carbonate (EC) at 40°C. Crude values of the apparent molar volumes of these solutes have also been obtained. Relative viscosities were fitted to the extended Jones-Dole equation, ηr=17#x002B;A η c 1/2+B η C+D η c 2.The pattern of the Bη coefficients is strikingly similar to that previously observed in the high dielectric constant, linear-chain hydrogen-bonded solvent, N-methylacetamide (NMA). Ionic values for φv and Bη have been obtained using a variety of splitting techniques. Alkali metal ions have large Bη coefficients indicating strong cation solvation with the ‘normal’ order Li〉Na〉K〉Cs. Small anions have positive but much smaller Bη values than in NMA. The observed order does suggest, however, a small degree of anion solvation. Large organic ions do not display the sharp crossing of the Einstein law,D η=2.5φv, uniquely characteristic in H2O of hydrophobic interaction. The two non-electrolytes have negative Bη coefficients showing that the Einstein law is not valid at the molecular level and that hydrocarbons are not good models for their isoelectronic tetraalkylammonium ion counterparts. An empirical modification of the Einstein law to account for the finite size of the solvent molecules is discussed. As in NMA the Dη coefficients are roughly linear in the square of Bη suggesting that they arise from hydrodynamic origins.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00664330
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  • 6
    Electronic Resource
    Electronic Resource
    Interactions in aqueous nonelectrolyte systems. Gibbs energy of interaction of the ether group with the hydroxyl group and the amide group (1985)
    Springer
    Journal of solution chemistry 14 (1985), S. 781-794 
    Details
    ISSN: 1572-8927
    Keywords: Freezing points ; aqueous solutions ; group interactions ; trioxane ; dioxane ; inositol ; mannitol ; cyclohexanol, formamide, and acetamide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Freezing temperatures of dilute aqueous solutions of equimolar mixtures of 1,3,5-trioxane with myo-inositol, d-mannitol, cyclohexanol, formamide, and acetamide, and 1,4-dioxane with myo-inositol, d-mannitol, formamide, and acetamide have been measured. These data yield pairwise Gibbs energies of interactions between the molecules in an aqueous solution. Using the group additivity principle, the results also yield the pairwise functional group Gibbs energies of interaction for the ether group with the hydroxyl and amide group. These results have been combined with all available data from the literature to yield the Gibbs energy and enthalpy of interaction of amides, ethers, alcohols, and saccharides in aqueous solution.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00646000
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  • 7
    Electronic Resource
    Electronic Resource
    Freezing points and enthalpies of dilution of aqueous formic, acetic, propionic, and butyric acids. Free energies and enthalpies of solute—Solute interactions (1980)
    Springer
    Journal of solution chemistry 9 (1980), S. 305-324 
    Details
    ISSN: 1572-8927
    Keywords: Freezing points ; carboxylic acids ; enthalpies of dilution ; solute—solute interaction ; activity expansion ; sociation constants ; group additivity principle
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract Freezing-point depressions and enthalpies of dilution for aqueous solutions of the straight chain, aliphatic carboxylic acids, C1 through C4, have been measured. These data, together with the corresponding apparent molal heat capacities, have been used to calculate the pairwise free energy and enthalpy of interaction of undissociated acid molecules at 298.150K. As expected, the effect of dimer and triplet interaction increases with chain length, reflecting the hydrophobic nature of the hydrocarbon portion of the molecules. The group-interaction additivity principle of Savage and Wood applied to these results gives an excellent correlation and yields values of the group interaction parameters,G i,j andH i,j for the CH2 and COOH groups. These parameters confirm previous results for the interaction of polar and hydrophobic groups in water. The primary data have been fitted to the activity expansion equations of Wood, Lilley, and Thompson to yield values of dimer and trimer “sociation” constants and their temperature derivatives. This procedure allows for the simultaneous treatment of the dissociation effects of these acids as weak electrolytes together with their tendency to form associated clusters.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00651538
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  • 8
    Electronic Resource
    Electronic Resource
    Viscosities of solutions of electrolytes and nonelectrolytes inN-methylacetamide at 35° and 55°C (1980)
    Springer
    Journal of solution chemistry 9 (1980), S. 955-976 
    Details
    ISSN: 1572-8927
    Keywords: Viscosity ; electrolyte, nonelectrolyte ; alkali metal halide ; tetraalkylammonium ions ; solvation ; jones and Dole equation ; nonaqueous solvent ; N-methylacetamide
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract The viscosities of dilute solutions of a number of tetraalkylammonium and alkali metal halides, tetraphenylarsonium chloride, sodium tetraphenylborate, and tetrabutylammonium tetrabutylborate, as well as several nonelectrolytes have been measured in the high dielectric constant solvent N-methylacetamide (NMA) at 35 and 55°C. The relative viscosities were fitted to the extended Jones-Dole equation, ηГ = 1 + AηC1/2 + BηC + DηC2. The pattern of behavior of the Bη coefficients is roughly similar to that observed in H2O. However, the small ions have exceptionally large Bη values in this solvent due to strong solvation effects, while the large organic ions do not display the sharp crossing of the Einstein law, Bη=2.5 φV, characteristic in H2O of hydrophobic interaction. The Dη coefficients roughly parallel the Bη behavior and display remarkably regular ionic trends. This suggests that they arise largely from hydrodynamic origins. Nonelectrolytes have small or negative Bη coefficients showing that the Einstein law is not applicable at the molecular level and that nonelectrolytes are poor models for structurally similar ions. A simple mixture law is presented as an alternative to the Einstein law to explain the Bη coefficients.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00646406
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