about
Effect of atom- and group-based truncations on biomolecules simulated with reaction-field electrostatics.Removing systematic errors in interionic potentials of mean force computed in molecular simulations using reaction-field-based electrostaticsSimple electrolyte solutions: comparison of DRISM and molecular dynamics results for alkali halide solutions.Computing accurate potentials of mean force in electrolyte solutions with the generalized gradient-augmented harmonic Fourier beads method.Solute size effects on the solvation structure and diffusion of ions in liquid methanol under normal and cold conditions.Electrostatic and induction effects in the solubility of water in alkanes.Damped reaction field method and the accelerated convergence of the real space Ewald summation.Computation of methodology-independent single-ion solvation properties from molecular simulations. III. Correction terms for the solvation free energies, enthalpies, entropies, heat capacities, volumes, compressibilities, and expansivities of solvatComputation of the water density distribution at the ice-water interface using the potentials-of-mean-force expansion.Thermodynamically dominant hydration structures of aqueous ionsPressure calculation in polar and charged systems using Ewald summation: Results for the extended simple point charge model of waterComputer simulations do not support Cl-Cl pairing in aqueous NaCl solution
P2860
Q35475945-C0FC3167-D0F0-430A-B3DC-AB7D15E5C55EQ37164032-A33CBDFC-E22D-4A53-9864-250C1BFAA692Q42114888-14C30D12-9905-472D-8282-2871E7AE4DBBQ45972773-4894A59C-EEF8-4CDE-9F98-20E604690EE1Q47347433-992723A5-3396-4929-8EC4-11BB8916175BQ47767886-69D9667E-AF77-4E37-8642-1BB41FB913E6Q51038390-00C95EE0-0713-4B1E-9C65-C07901CF607BQ51578620-19E520C6-E8D4-4D81-9DD9-17E3E0A80C86Q51652260-A5E9232B-CBD8-450C-8A43-5EEFA38B3CB7Q57155463-ED6807E9-17AF-433A-A3C1-1750ED42A0FFQ57875380-6D2E7503-439F-476F-B882-53AD8472F153Q57875628-91469BDD-EF59-4D6C-A17D-332817E97EC7
P2860
description
article
@en
im November 1992 veröffentlichter wissenschaftlicher Artikel
@de
wetenschappelijk artikel
@nl
наукова стаття, опублікована в листопаді 1992
@uk
name
Pair correlations in an NaCl-SPC water model
@en
Pair correlations in an NaCl-SPC water model
@nl
type
label
Pair correlations in an NaCl-SPC water model
@en
Pair correlations in an NaCl-SPC water model
@nl
prefLabel
Pair correlations in an NaCl-SPC water model
@en
Pair correlations in an NaCl-SPC water model
@nl
P1433
P1476
Pair correlations in an NaCl-SPC water model
@en
P2093
Dikeos M. Soumpasis
Martin Neumann
P2860
P304
P356
10.1080/00268979200102751
P577
1992-11-01T00:00:00Z