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Иш: Water-separated ion pairs cause the slow dielectric mode of magnesium sulfate solutions

  1. The missing term in effective pair potentials

    Herman J. C. Berendsen, J. Raúl Grigera, Tjerk P. Straatsma

    Мақола198728 иқтибос
    ABI

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

    Tom Darden, Darrin M. York, Lee G. Pedersen

    Мақола199316 иқтибос
    ABI

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

    Jean-Paul Ryckaert, Giovanni Ciccotti, Herman J. C. Berendsen

    Мақола19779 иқтибос
    ABI

  4. GROMACS: A message-passing parallel molecular dynamics implementation

    Herman J. C. Berendsen, David van der Spoel, Rudi van Drunen

    Мақола19958 иқтибос
    ABI

  5. Rational design of ion force fields based on thermodynamic solvation properties

    Dominik Horinek, Shavkat Mamatkulov, Roland R. Netz

    МақолаSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20097 иқтибос
    ABI

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

    Yizhak Marcus

    Шарҳ мақола20095 иқтибос
    ABI

  7. Nonequilibrium Thermodynamics

    De Groot, Sybren Ruurds, Mazur, P

    Китоб20025 иқтибос
    ABI

  8. Dispersion and Absorption in Dielectrics I. Alternating Current Characteristics

    Kenneth S. Cole, Robert H. Cole

    Мақола19415 иқтибос
    ABI

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

    Chris Oostenbrink, Alessandra Villa, Alan E. Mark +1

    Мақола20045 иқтибос
    ABI

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

    Douwe Jan Bonthuis, Shavkat Mamatkulov, Roland R. Netz

    МақолаSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20164 иқтибос
    ABI

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

    Michael Tissandier, Kenneth A. Cowen, Wan Yong Feng +5

    Мақола19984 иқтибос
    ABI

  12. Cooperativity in Ion Hydration

    Klaas‐Jan Tielrooij, Nuria Garcı́a-Aráez, Mischa Bonn +1

    Мақола20104 иқтибос
    ABI

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

    Samantha Weerasinghe, Paul E. Smith

    Мақола20033 иқтибос
    ABI

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

    Shavkat Mamatkulov, Maria Fyta, Roland R. Netz

    Мақола20133 иқтибос
    ABI

  15. Molecular dynamics simulations of aqueous ionic clusters using polarizable water

    Liem X. Dang, David Eugene Smith

    Мақола19933 иқтибос
    ABI

  16. Kirkwood–Buff Integrals for Finite Volumes

    Péter Krüger, Sondre K. Schnell, Dick Bedeaux +3

    Мақола20123 иқтибос
    ABI

  17. <i>Ab</i> <i>initio</i> molecular dynamics simulation of liquid water: Comparison of three gradient-corrected density functionals

    Michiel Sprik, Jürg Hutter, Michele Parrinello

    Мақола19963 иқтибос
    ABI

  18. GROMACS 3.0: a package for molecular simulation and trajectory analysis

    Erik Lindahl, Berk Hess, David van der Spoel

    Мақола20013 иқтибос
    ABI

  19. Computational Alchemy

    T. Straatsma

    Мақола19922 иқтибос
    ABI

  20. Cation specific binding with protein surface charges

    Berk Hess, Nico F. A. van der Vegt

    Мақола20092 иқтибос
    ABI

  21. The thermodynamic properties of electrolyte solutions: Some formal results

    Peter G. Kusalik, G. N. Patey

    Мақола19872 иқтибос
    ABI

  22. Ionic force field optimization based on single-ion and ion-pair solvation properties: Going beyond standard mixing rules

    Maria Fyta, Roland R. Netz

    Мақола20122 иқтибос
    ABI

  23. Complexity in “Simple” Electrolyte Solutions:  Ion Pairing in MgSO<sub>4</sub>(aq)

    Richard Buchner, Ting Chen, Glenn Hefter

    Мақола20042 иқтибос
    ABI

  24. A Kirkwood-Buff Derived Force Field for Aqueous Alkali Halides

    Moon Bae Gee, Nicholas R. Cox, Yuanfang Jiao +3

    Мақола20112 иқтибос
    ABI

  25. Solvation thermodynamics of nonionic solutes

    Arieh Ben‐Naim, Yizhak Marcus

    Мақола19842 иқтибос
    ABI