Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamics.
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Metal Ion Modeling Using Classical MechanicsWater in the formation of biogenic minerals: peeling away the hydration layers.Carbonate-coordinated metal complexes precede the formation of liquid amorphous mineral emulsions of divalent metal carbonates.Parametrization of DFTB3/3OB for magnesium and zinc for chemical and biological applicationsNetwork topology for the formation of solvated electrons in binary CaO-Al2O3 composition glasses.Calcium isotope fractionation between aqueous compounds relevant to low-temperature geochemistry, biology and medicine.Aqueous solutions: state of the art in ab initio molecular dynamics.Improved model of hydrated calcium ion for molecular dynamics simulations using classical biomolecular force fields.Possible roles of exceptionally conserved residues around the selectivity filters of sodium and calcium channelsHydration of cyanin dyes.Structure and dynamics of the hydrated magnesium ion and of the solvated magnesium carbonates: insights from first principles simulations.The aqueous Ca2+ system, in comparison with Zn2+, Fe3+, and Al3+: an ab initio molecular dynamics study.Complexation of carboxylate on smectite surfaces.Mapping the Free Energy of Lithium Solvation in the Protic Ionic Liquid Ethylammonuim Nitrate: A Metadynamics Study.Elucidating the mechanism behind the stabilization of multi-charged metal cations in water: a case study of the electronic states of microhydrated Mg2+, Ca2+ and Al3+.Quantized ionic conductance in nanopores.A neutron/X-Ray diffraction, IR, and1H/29Si NMR Spectroscopic investigation of armenite: behavior of extra framework Ca cations and H2O molecules in microporous silicates
P2860
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P2860
Hydration properties of magnesium and calcium ions from constrained first principles molecular dynamics.
description
2007 nî lūn-bûn
@nan
2007年の論文
@ja
2007年学术文章
@wuu
2007年学术文章
@zh
2007年学术文章
@zh-cn
2007年学术文章
@zh-hans
2007年学术文章
@zh-my
2007年学术文章
@zh-sg
2007年學術文章
@yue
2007年學術文章
@zh-hant
name
Hydration properties of magnes ...... principles molecular dynamics.
@en
Hydration properties of magnes ...... principles molecular dynamics.
@nl
type
label
Hydration properties of magnes ...... principles molecular dynamics.
@en
Hydration properties of magnes ...... principles molecular dynamics.
@nl
prefLabel
Hydration properties of magnes ...... principles molecular dynamics.
@en
Hydration properties of magnes ...... principles molecular dynamics.
@nl
P2860
P356
P1476
Hydration properties of magnes ...... principles molecular dynamics.
@en
P2093
Kiyoyuki Terakura
Takashi Ikeda
P2860
P304
P356
10.1063/1.2768063
P407
P50
P577
2007-08-01T00:00:00Z