Density Functional Theory for the Nonspecific Binding of Salt to Polyelectrolytes: Thermodynamic Properties
โ Scribed by Patra, Chandra N.; Yethiraj, Arun
- Book ID
- 118513800
- Publisher
- Biophysical Society
- Year
- 2000
- Tongue
- English
- Weight
- 159 KB
- Volume
- 78
- Category
- Article
- ISSN
- 0006-3495
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๐ SIMILAR VOLUMES
## Abstract The thermodynamic properties of 76 polychlorinated dihydrophezines (PCDPs) in the gaseous state at 298.15โK and 101.325โkPa, have been calculated using the density functional theory (the BHANDHLYP/6โ31G\*) with Gaussian 03 program. Based on these data, the isodesmic reactions were desig
## Abstract The range of application of the Manning theory of polyelectrolyte solutions (__J. Chem. Phys.__, **51**, 924 (1969)) is extended to finite concentrations of simple electrolyte by the empirical superposition of excess free energies arising from (i) interactions between mobile ions and po