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Ushbu ish iqtibos qilgan ishlar

52 ta ish

Ish: 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

    Maqola198729 iqtibos
    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

    MaqolaOchiq kirish199317 iqtibos
    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

    Maqola19779 iqtibos
    ABI

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

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

    Maqola19958 iqtibos
    ABI

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

    Dominik Horinek, Shavkat Mamatkulov, Roland R. Netz

    MaqolaSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20097 iqtibos
    ABI

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

    Yizhak Marcus

    Sharh maqola20096 iqtibos
    ABI

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

    Kenneth S. Cole, Robert H. Cole

    Maqola19416 iqtibos
    ABI

  8. Nonequilibrium Thermodynamics

    De Groot, Sybren Ruurds, Mazur, P

    Kitob20025 iqtibos
    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

    Maqola20045 iqtibos
    ABI

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

    Douwe Jan Bonthuis, Shavkat Mamatkulov, Roland R. Netz

    MaqolaOchiq kirishSpectroscopy and Quantum Chemical StudiesThe Journal of Chemical Physics20164 iqtibos
    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

    Maqola19984 iqtibos
    ABI

  12. Cooperativity in Ion Hydration

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

    Maqola20104 iqtibos
    ABI

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

    Samantha Weerasinghe, Paul E. Smith

    Maqola20033 iqtibos
    ABI

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

    Shavkat Mamatkulov, Maria Fyta, Roland R. Netz

    MaqolaOchiq kirish20133 iqtibos
    ABI

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

    Liem X. Dang, David Eugene Smith

    Maqola19933 iqtibos
    ABI

  16. Kirkwood–Buff Integrals for Finite Volumes

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

    MaqolaOchiq kirish20123 iqtibos
    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

    Maqola19963 iqtibos
    ABI

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

    Erik Lindahl, Berk Hess, David van der Spoel

    Maqola20013 iqtibos
    ABI

  19. Computational Alchemy

    T. Straatsma

    Maqola19922 iqtibos
    ABI

  20. Cation specific binding with protein surface charges

    Berk Hess, Nico F. A. van der Vegt

    MaqolaOchiq kirish20092 iqtibos
    ABI

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

    Peter G. Kusalik, G. N. Patey

    MaqolaOchiq kirish19872 iqtibos
    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

    MaqolaOchiq kirish20122 iqtibos
    ABI

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

    Richard Buchner, Ting Chen, Glenn Hefter

    Maqola20042 iqtibos
    ABI

  24. Sarlavhasiz

    Boshqa2 iqtibos
    ABI

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

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

    MaqolaOchiq kirish20112 iqtibos
    ABI