Charge-on-spring polarizable water models revisited: From water clusters to liquid water to ice (Q57269353)

A Second Generation Force Field for the Simulation of Proteins, Nucleic Acids, and Organic Molecules

21 January 2018

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All-atom empirical potential for molecular modeling and dynamics studies of proteins

21 January 2018

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An improved GROMOS96 force field for aliphatic hydrocarbons in the condensed phase

21 January 2018

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Comparison of simple potential functions for simulating liquid water

21 January 2018

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The missing term in effective pair potentials

21 January 2018

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A five-site model for liquid water and the reproduction of the density anomaly by rigid, nonpolarizable potential functions

21 January 2018

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A novel approach for designing simple point charge models for liquid water with three interaction sites

21 January 2018

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21 January 2018

Polarizable force fields

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Development of a simple, self-consistent polarizable model for liquid water

21 January 2018

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Modeling induced polarization with classical Drude oscillators: Theory and molecular dynamics simulation algorithm

21 January 2018

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

21 January 2018

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

21 January 2018

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Water clusters: untangling the mysteries of the liquid, one molecule at a time

21 January 2018

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21 January 2018

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Lattice constants and thermal expansion of H2O and D2O ice Ihbetween 10 and 265 K

21 January 2018

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The Water Dipole Moment in Water Clusters

21 January 2018

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Measurement of quantum tunneling between chiral isomers of the cyclic water trimer

21 January 2018

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The GROMOS Biomolecular Simulation Program Package

21 January 2018

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Molecular dynamics with coupling to an external bath

21 January 2018

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Terahertz Laser Vibration−Rotation Tunneling Spectroscopy of the Water Tetramer

21 January 2018

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On the transferability of the SPC/L water model to biomolecular simulation

21 January 2018

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Structures, energies, vibrational spectra, and electronic properties of water monomer to decamer

21 January 2018

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Structures, binding energies, and spectra of isoenergetic water hexamer clusters: Extensive ab initio studies

21 January 2018

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Derivation of an improved simple point charge model for liquid water: SPC/A and SPC/L

21 January 2018

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Cooperative effects in simulated water

21 January 2018

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A simple polarizable model of water based on classical Drude oscillators

21 January 2018

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