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Extending a Transferable TIP4P/ϵ ElectrolyteForce Field to Rubidium Iodide (RBi/ϵ):Validation from Structural, Thermodynamic,and Dynamic Properties

https://doi.org/10.2139/ssrn.7292116
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LINCS: A linear constraint solver for molecular simulations
inferredcites →https://doi.org/10.1007/s00894-019-4034-3openalex-snapshot
Prediction of experimental properties of CO2: improving actual force fields
inferredcites →https://doi.org/10.1016/j.molliq.2023.123343openalex-snapshot
Novel force field for the ionic liquid [Bmim][Nf2T] and its transferability in a mixture with water
inferredcites →https://doi.org/10.1016/j.physa.2017.09.081openalex-snapshot
Potassium bromide, KBr/ ε : New Force Field
inferredcites →https://doi.org/10.1021/acs.jpcb.5b12584openalex-snapshot
Sodium Chloride, NaCl/ϵ: New Force Field
inferredcites →https://doi.org/10.1021/j150542a023openalex-snapshot
Electrical Conductance and Density of Pure Molten Alkali Halides
inferredcites →https://doi.org/10.1021/j150579a011openalex-snapshot
Phenomenological Theory of Ion Solvation. Effective Radii of Hydrated Ions
inferredcites →https://doi.org/10.1021/jp410865yopenalex-snapshot
Non-Polarizable Force Field of Water Based on the Dielectric Constant: TIP4P/ε
inferredcites →https://doi.org/10.1021/jp8001614openalex-snapshot
Determination of Alkali and Halide Monovalent Ion Parameters for Use in Explicitly Solvated Biomolecular Simulations
inferredcites →https://doi.org/10.1021/jp902584copenalex-snapshot
Molecular Dynamics Simulations of the Dynamic and Energetic Properties of Alkali and Halide Ions Using Water-Model-Specific Ion Parameters
inferredcites →https://doi.org/10.1039/ft9918702995openalex-snapshot
Thermodynamics of solvation of ions. Part 5.—Gibbs free energy of hydration at 298.15 K
inferredcites →https://doi.org/10.1063/1.1378321openalex-snapshot
Non-Hamiltonian molecular dynamics: Generalizing Hamiltonian phase space principles to non-Hamiltonian systems
inferredcites →https://doi.org/10.1063/1.3081142openalex-snapshot
Rational design of ion force fields based on thermodynamic solvation properties
inferredcites →https://doi.org/10.1063/1.3693330openalex-snapshot
Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules
inferredcites →https://doi.org/10.1063/1.445869openalex-snapshot
Comparison of simple potential functions for simulating liquid water
inferredcites →https://doi.org/10.1063/1.454720openalex-snapshot
Monte Carlo calculations of cluster statistics in continuum models of composite morphology
inferredcites →https://doi.org/10.1063/1.466363openalex-snapshot
Computer simulations of NaCl association in polarizable water
inferredcites →https://doi.org/10.1063/1.470117openalex-snapshot
A smooth particle mesh Ewald method
inferredcites →https://doi.org/10.1063/1.4884276openalex-snapshot
Polarizable molecular interactions in condensed phase and their equivalent nonpolarizable models
inferredcites →https://doi.org/10.1063/5.0077716openalex-snapshot
The Madrid-2019 force field for electrolytes in water using TIP4P/2005 and scaled charges: Extension to the ions F−, Br−, I−, Rb+, and Cs+
inferredcites →https://doi.org/10.1080/00268978300102721openalex-snapshot
Dipole moment fluctuation formulas in computer simulations of polar systems
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