Computing the melting point and thermodynamic stability of the orthorhombic and monoclinic crystalline polymorphs of the ionic liquid 1-n-butyl-3-methylimidazolium chloride.
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Alchemical free energy methods for drug discovery: progress and challengesSpotlight on ionic liquids.Molecular dynamics study of congruent melting of the equimolar ionic liquid-benzene inclusion crystal [emim][NTf(2)].C(6)H(6).Dispersion interactions in room-temperature ionic liquids: results from a non-empirical density functional.Critical behaviour and vapour-liquid coexistence of 1-alkyl-3-methylimidazolium bis(trifluoromethylsulfonyl)amide ionic liquids via Monte Carlo simulations.Molecular simulation of homogeneous nucleation of crystals of an ionic liquid from the melt.Melting point trends and solid phase behaviors of model salts with ion size asymmetry and distributed cation charge.Tinker-OpenMM: Absolute and relative alchemical free energies using AMOEBA on GPUs.Atomistic simulations of the solid-liquid transition of 1-ethyl-3-methyl imidazolium bromide ionic liquid.Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids.Synthesis of N-cyanoalkyl-functionalized imidazolium nitrate and dicyanamide ionic liquids with a comparison of their thermal properties for energetic applicationsMolecular Simulation of Ionic Liquids: Where We Are and the Path Forward
P2860
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P2860
Computing the melting point and thermodynamic stability of the orthorhombic and monoclinic crystalline polymorphs of the ionic liquid 1-n-butyl-3-methylimidazolium chloride.
description
2007 nî lūn-bûn
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name
Computing the melting point an ...... -3-methylimidazolium chloride.
@en
Computing the melting point an ...... -3-methylimidazolium chloride.
@nl
type
label
Computing the melting point an ...... -3-methylimidazolium chloride.
@en
Computing the melting point an ...... -3-methylimidazolium chloride.
@nl
prefLabel
Computing the melting point an ...... -3-methylimidazolium chloride.
@en
Computing the melting point an ...... -3-methylimidazolium chloride.
@nl
P2860
P356
P1476
Computing the melting point an ...... -3-methylimidazolium chloride.
@en
P2093
Saivenkataraman Jayaraman
P2860
P304
P356
10.1063/1.2801539
P407
P577
2007-12-01T00:00:00Z