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Computational Insights into Materials and Interfaces for Capacitive Energy StorageForce fields for studying the structure and dynamics of ionic liquids: a critical review of recent developments.Solvent nanostructure, the solvophobic effect and amphiphile self-assembly in ionic liquids.L-Lysine-derived ionic liquids as chiral ligands of Zn(II) complexes used in ligand-exchange CE.Recent developments in the study of ionic liquid interfaces using X-ray photoelectron spectroscopy and potential future directions.Computational studies of room temperature ionic liquid-water mixtures.Morphology-enhanced conductivity in dry ionic liquids.Small angle neutron scattering from 1-alkyl-3-methylimidazolium hexafluorophosphate ionic liquids ([C(n)mim][PF(6)], n=4, 6, and 8).Electrostatic properties of liquid 1,3-dimethylimidazolium chloride: role of local polarization and effect of the bulk.An energy dispersive x-ray scattering and molecular dynamics study of liquid dimethyl carbonate.Prediction of gas solubilities in ionic liquids.The liquid surface of chiral ionic liquids as seen from molecular dynamics simulations combined with intrinsic analysis.Assessment of Kohn-Sham density functional theory and Møller-Plesset perturbation theory for ionic liquids.Ionic liquids: just Molten salts after all?Molecular simulation study of CO2 and N2 absorption in a phosphonium based organic ionic plastic crystal.Depolarization of water in protic ionic liquids.Shuffling lithiated mixed aggregates: NMR and Car-Parrinello molecular dynamics reveal an unexpected associative pathway.A molecular dynamics investigation of the structural and dynamic properties of the ionic liquid 1-n-butyl-3-methylimidazolium bis(trifluoromethanesulfonyl)imide.Role of Dynamic Heterogeneities in Ionic Liquids: Insights from All-Atom and Coarse-Grained Molecular Dynamics Simulation Studies.Direct calculation of the X-ray structure factor of ionic liquids.Condensed phase molecular dynamics using interpolated potential energy surfaces with application to the resolvation process of coumarin 153.Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids.Charge-Scaling Effect in Ionic Liquids from the Charge-Density Analysis ofN,N′-Dimethylimidazolium MethylsulfateFrom Salts to Ionic Liquids by Systematic Structural Modifications: A Rational Approach Towards the Efficient Modular Synthesis of Enantiopure Imidazolium SaltsProton transfer and polarity changes in ionic liquid–water mixtures: a perspective on hydrogen bonds from ab initio molecular dynamics at the example of 1-ethyl-3-methylimidazolium acetate–water mixtures—Part 1
P2860
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P2860
description
2008 nî lūn-bûn
@nan
2008年の論文
@ja
2008年学术文章
@wuu
2008年学术文章
@zh-cn
2008年学术文章
@zh-hans
2008年学术文章
@zh-my
2008年学术文章
@zh-sg
2008年學術文章
@yue
2008年學術文章
@zh
2008年學術文章
@zh-hant
name
Modelling room temperature ionic liquids.
@en
type
label
Modelling room temperature ionic liquids.
@en
prefLabel
Modelling room temperature ionic liquids.
@en
P356
P1476
Modelling room temperature ionic liquids
@en
P2093
B L Bhargava
Michael L Klein
P2860
P304
P356
10.1039/B805384G
P407
P577
2008-06-11T00:00:00Z