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'Covalent' effects in 'ionic' liquids
Published 2000“…On shorter timescales (higher frequency) these liquids exhibit spectroscopic bands usually assigned to quasi-molecular units. …”
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Structure and dynamics in network liquids
Published 2002“…<p>The onset of the Glass Transition in tetrahedral network liquids is associated with the over-constrained nature of the structure and the low ability of the ions to move relative to one another. …”
Thesis -
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'Covalent' effects in 'ionic' liquids
Published 2000“…On shorter timescales (higher frequency) these liquids exhibit spectroscopic bands usually assigned to quasi-molecular units. …”
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Structure of normal and supercooled liquid aluminum oxide
Published 2005“…We have made a new determination of the structure of liquid aluminum oxide over a wide temperature range, including the supercooled region, using synchrotron X-ray diffraction. …”
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Diffusion coefficients in ionic liquids: relationship to the viscosity.
Published 2005Journal article -
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Dynamical arrest in superionic crystals and supercooled liquids
Published 2004“…Phenomenological similarities between the temperature dependence of the thermal and transport properties of supercooled liquids and certain crystalline fast-ion conductors are explored, using information from computer simulations and experiments. …”
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Solid-liquid coexistence in ionic systems and the properties of the interface
Published 2004“…Phys., 116, 3410] of the solid-liquid interfaces in binary mixtures of hard spheres of sufficiently different size ratio to prevent solid compound formation. …”
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Voids in network-forming liquids and their influence on the structure and dynamics
Published 1998“…Despite sharing the same local tetrahedral arrangement, the network properties of the three liquids differ markedly on an intermediate length scale and this leads to significant differences in the properties of the voids. …”
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Conductivity-viscosity-structure: unpicking the relationship in an ionic liquid.
Published 2007Journal article -
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Polarizabilities of individual molecules and ions in liquids from first principles
Published 2008“…Dipole polarizabilities of individual ionic or molecular species are computed in three different liquid systems: liquid water, molten salts and magmatic melts, the last two belonging to the class of ionic liquids. …”
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Simulation of the liquid-vapor interface of molten LiBeF3
Published 2007“…The structural properties of the liquid-vapor interface of an equimolar mixture of LiF and BeF2 are studied by molecular dynamics. …”
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Raman spectra of ionic liquids: interpretation via computer simulation.
Published 2004“…Theoretical Raman spectra of the complex-forming ionic liquids LaCl3 and ScCl3, derived from molecular dynamics computer simulations, are presented. …”
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Is a Stern and diffuse layer model appropriate to ionic liquids at surfaces?
Published 2013Journal article -
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The nature of the "vibrational modes" of the network-forming liquid ZnCl2
Published 1998“…The atomic motions responsible for features seen in the spectra of network-forming liquids above the relaxational frequency domain are conventionally described as vibrational, with the nature of the vibrational modes described either as local vibrations of the tetrahedral units of the network or as extended, phonon-like vibrations, depending on the standpoint of the observer. …”
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Structure and dynamics at the aluminum solid-liquid interface: An ab initio simulation
Published 2000“…The first atomic layer beyond that at which the average atomic density falls to the bulk liquid value, shows appreciable in-plane order.…”
Journal article