Tables
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I Symbols, acronyms and notations (most important or/and frequently encountered only) used in this
book. (p.xvi)
1.1 Standard properties of water relevant in the context of ionic solvation. (p.5)
2.1 Estimates for the air-liquid interfacial potential and temperature derivative for non-aqueous
solvents. (p.26)
3.1 Parameters and properties of a few non-polarizable water models commonly used in atomistic
simulations. (p.83)
3.2 Overview of the available sets of ion-solvent (water) Lennard-Jones interaction parameters for the
alkali and halide ions. (p.87)
3.3 Available Lennard-Jones interaction parameter sets for the alkali cations. (p.88)
3.4 Available Lennard-Jones interaction parameter sets for the halide anions. (p.96)
3.5 Average electric potentials calculated by atomistic simulations for the SPC water model. (p.115)
4.1 Interconversion formulae between the standard and the density-corrected
standard-state variants. (p.174)
4.2 Standard thermodynamic parameters of the gas-phase electron and proton. (p.195)
4.3 Correction terms for (partial) molar variables corresponding to alternative standard-state
conventions. (p.210)
5.1 Standard molar thermodynamic parameters of the alkali and halide elements as well as
hydrogen. (p.327)
5.2 Standard structural and molar thermodynamic parameters of the alkali-halide salts. (p.330)
5.3 Equilibrium distances of the alkali-halide gas-phase ion-pair complexes. (p.331)
5.4 Available sets of effective ionic radii for the alkali and halide ions. (p.340)
5.5 Standard relative electrode (redox) potentials and temperature derivatives for the alkali and
halide element-ion couples as well as the hydrogen-proton couple in water. (p.347)
5.6 Standard thermodynamic parameters of salt formation and corresponding molar entropies for the
alkali-halide salts. (p.352)
5.7 Standard thermodynamic parameters of dissolved salt formation and corresponding partial molar
variables for the alkali-halide salts in water. (p.358)
5.8 Standard thermodynamic parameters of dissolution for the alkali-halide salts in water. (p.363)
5.9 Standard thermodynamic parameters of gas-phase atom or ion formation and corresponding molar
parameters for the alkali and halide atoms or ions, as well as the hydrogen atom
and the proton. (p.367)
5.10 Standard thermodynamic parameters of reticulation for the alkali-halide gas-phase
ion pairs. (p.374)
5.11 Standard thermodynamic parameters of solvation for the alkali-halide gas-phase
ion pairs in water. (p.381)
5.12 Standard partial molar variables for the dissolved alkali-halide salts in water. (p.385)
5.13 Spectroscopic and standard work functions for the alkali (and some other) metals. (p.396)
5.14 Real absolute potential of the reference hydrogen electrode in water. (p.405)
5.15 Standard real single-ion solvation parameters for alkali and halide gas-phase ions as well as the
proton in water. (p.410)
5.16 Standard conventional single-ion solvation parameters for the alkali and halide gas-phase ions
in water. (p.416)
5.17 Standard conventional single-ion partial molar variables for the alkali and halide ions dissolved
in water. (p.420)
5.18 Estimates for the standard air-liquid interfacial potential and its temperature derivative
for water. (p.438)
5.19 Available estimates for the intrinsic solvation parameters of the proton in water. (p.462)
5.20 Estimates for the standard intrinsic partial molar variables of the aqueous proton. (p.465)
5.21 Recommended data for the reticulation parameters and salt partial molar variables of
the alkali-halides. (p.472)
5.22 Recommended data for the standard thermodynamic parameters of alkali,
halides and hydrogen. (p.473)
5.23 Recommended data for the real hydration parameters of the proton and the real partial molar
variables of the aqueous proton. (p.474)
5.24 Recommended data for the intrinsic hydration parameters of the proton and the intrinsic partial
molar variables of the aqueous proton. (p.475)
5.25 Recommended data for standard redox potentials and their first and second pressure and
temperature derivatives for the alkali and halide half-cell elements considering water as a
solvent. (p.476)
5.26 Recommended data for the single-ion intrinsic hydration parameters of the gas-phase proton and
alkali and halide ions, and the single-ion intrinsic partial molar variables of the aqueous proton
and alkali and halide ions. (p.478)
6.1 Continuum-electrostatics estimates for the hydration free energies of the alkali and halide ions,
along with suggested correction terms for various neglected effects. (p.495)
6.2 Fitting coefficients for the empirical evaluation of specific correction terms to raw single-ion
solvation free energies calculated by atomistic simulations. (p.504)
6.3 Standard intrinsic hydration free energy of the sodium cation evaluated by atomistic simulations
with application of correction terms. (p.515)
6.4 Conventional and intrinsic hydration free energies of the alkali and halide ions calculated from
atomistic simulations based on different ion-water Lennard-Jones interaction parameter sets
or derived from experiment. (p.520)
6.5 Effective dipole moment of water molecules in the first hydration shell of ions, estimated based on
quantum-mechanical computations. (p.527)