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Works cited by this work

A consistent and accurate<i>ab initio</i>parametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu

The missing term in effective pair potentials

Density-functional exchange-energy approximation with correct asymptotic behavior

Effect of the damping function in dispersion corrected density functional theory

Particle mesh Ewald: An <i>N</i>⋅log(<i>N</i>) method for Ewald sums in large systems

Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy

Comparison of simple potential functions for simulating liquid water

Numerical integration of the cartesian equations of motion of a system with constraints: molecular dynamics of n-alkanes

GROMACS: A message-passing parallel molecular dynamics implementation

Rational design of ion force fields based on thermodynamic solvation properties

Generating Efficient Quantum Chemistry Codes for Novel Architectures

van der Waals Volumes and Radii

A well-behaved electrostatic potential based method using charge restraints for deriving atomic charges: the RESP model

Accurate spin-dependent electron liquid correlation energies for local spin density calculations: a critical analysis

Effect of Ions on the Structure of Water: Structure Making and Breaking

A biomolecular force field based on the free enthalpy of hydration and solvation: The GROMOS force‐field parameter sets 53A5 and 53A6

Determining atom‐centered monopoles from molecular electrostatic potentials. The need for high sampling density in formamide conformational analysis

Optimization of classical nonpolarizable force fields for OH− and H3O+

The Proton's Absolute Aqueous Enthalpy and Gibbs Free Energy of Solvation from Cluster-Ion Solvation Data

A new integral equation formalism for the polarizable continuum model: Theoretical background and applications to isotropic and anisotropic dielectrics

Note on an Approximation Treatment for Many-Electron Systems

A Kirkwood–Buff derived force field for sodium chloride in water

Force fields for divalent cations based on single-ion and ion-pair properties

Molecular dynamics simulations of aqueous ionic clusters using polarizable water

Kirkwood–Buff Integrals for Finite Volumes