article Open AccessTop 10% cited
Constrained molecular dynamics and the mean potential for an ion pair in a polar solvent
Chemical Physics · 1989 · Vol. 129(2) · pp. 241–251
Giovanni Ciccotti✉(University of Toronto)Mauro Ferrario(University of Messina)James T. Hynes(University of Colorado Boulder)Raymond Kapral(University of Toronto)
Spectroscopy and Quantum Chemical StudiesThermodynamic properties of mixturesAnalytical Chemistry and ChromatographyPotential of mean forceChemistryMolecular dynamicsIonSolventDipolePolarPolyatomic ionChemical physicsPair potential
Funding
- University of Toronto
- Centre National de la Recherche Scientifique
- American Chemical Society Petroleum Research Fund
- Natural Sciences and Engineering Research Council of Canada
Citations
250
FWCI
4.72
field-weighted impact
References
22
Percentile
96%
vs. same field & year
Citations per year
Cited by
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References
Nonphysical sampling distributions in Monte Carlo free-energy estimation: Umbrella sampling
Journal of Computational Physics · 1977 · 6,115 citations
A unified formulation of the constant temperature molecular dynamics methods
The Journal of Chemical Physics · 1984 · 18,423 citations
A molecular dynamics method for simulations in the canonical ensemble
Molecular Physics · 1984 · 9,924 citations
Computer "Experiments" on Classical Fluids. I. Thermodynamical Properties of Lennard-Jones Molecules
Physical Review · 1967 · 9,233 citations
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