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Metal Ion Modeling Using Classical MechanicsParameterization of highly charged metal ions using the 12-6-4 LJ-type nonbonded model in explicit water.Hydration of trivalent lanthanum revisited - An ab initio QMCF-MD approach.Palladium(ii) in liquid ammonia: an investigation of structural and dynamical properties by applying quantum mechanical charge field molecular dynamics (QMCF-MD).Remarkable conformational flexibility of aqueous 18-crown-6 and its strontium(II) complex-ab initio molecular dynamics simulations.Solvation properties and behaviour of lutetium(III) in aqueous solution--a quantum mechanical charge field (QMCF) study.Towards a dissociative SPC-like water model - probing the impact of intramolecular Coulombic contributions.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+.Editorial: Quantum Mechanical/Molecular Mechanical Approaches for the Investigation of Chemical Systems - Recent Developments and Advanced Applications
P2860
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P2860
description
2011 nî lūn-bûn
@nan
2011年の論文
@ja
2011年学术文章
@wuu
2011年学术文章
@zh-cn
2011年学术文章
@zh-hans
2011年学术文章
@zh-my
2011年学术文章
@zh-sg
2011年學術文章
@yue
2011年學術文章
@zh
2011年學術文章
@zh-hant
name
Hydration of highly charged ions.
@en
type
label
Hydration of highly charged ions.
@en
prefLabel
Hydration of highly charged ions.
@en
P2093
P2860
P1476
Hydration of highly charged ions.
@en
P2093
Alexander K H Weiss
Bernd M Rode
Bernhard R Randolf
Thomas S Hofer
P2860
P304
P356
10.1016/J.CPLETT.2011.05.060
P577
2011-08-01T00:00:00Z