A transferable ab initio based force field for aqueous ions.
about
Multidimensional materials and device architectures for future hybrid energy storageInteracting ions in biophysics: real is not idealOn the microscopic fluctuations driving the NMR relaxation of quadrupolar ions in water.Collective water dynamics in the first solvation shell drive the NMR relaxation of aqueous quadrupolar cations.Tuning the Electronic Structure of Anatase Through FluorinationForce Field for Mg(2+), Mn(2+), Zn(2+), and Cd(2+) Ions That Have Balanced Interactions with Nucleic Acids.Rational Design of Particle Mesh Ewald Compatible Lennard-Jones Parameters for +2 Metal Cations in Explicit Solvent.Probing ice VII crystallization from amorphous NaCl-D2O solutions at gigapascal pressures.Spatial decomposition and assignment of infrared spectra of simple ions in water from mid-infrared to THz frequencies: Li(+)(aq) and F(-)(aq).Shortcomings of the standard Lennard-Jones dispersion term in water models, studied with force matching.Further insights in the ability of classical nonadditive potentials to model actinide ion-water interactions.A new polarizable force field for alkali and halide ions.Ionic interactions in biological and physical systems: a variational treatment.Structural study of Na2O-B2O3-SiO2 glasses from molecular simulations using a polarizable force field.Ca2+ -Cl- Association in Water Revisited: the Role of Cation Hydration.Direct computation of parameters for accurate polarizable force fields.
P2860
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P2860
A transferable ab initio based force field for aqueous ions.
description
2012 nî lūn-bûn
@nan
2012年の論文
@ja
2012年学术文章
@wuu
2012年学术文章
@zh
2012年学术文章
@zh-cn
2012年学术文章
@zh-hans
2012年学术文章
@zh-my
2012年学术文章
@zh-sg
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@yue
2012年學術文章
@zh-hant
name
A transferable ab initio based force field for aqueous ions.
@en
A transferable ab initio based force field for aqueous ions.
@nl
type
label
A transferable ab initio based force field for aqueous ions.
@en
A transferable ab initio based force field for aqueous ions.
@nl
prefLabel
A transferable ab initio based force field for aqueous ions.
@en
A transferable ab initio based force field for aqueous ions.
@nl
P2093
P2860
P50
P356
P1476
A transferable ab initio based force field for aqueous ions
@en
P2093
John J Molina
Pierre Turq
P2860
P304
P356
10.1063/1.3692965
P407
P577
2012-03-01T00:00:00Z