Pages that link to "Q37985672"
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The following pages link to Force fields for studying the structure and dynamics of ionic liquids: a critical review of recent developments (Q37985672):
Displaying 50 items.
- Metal Ion Modeling Using Classical Mechanics (Q30363020) (← links)
- Computational 17O-NMR spectroscopy of organic acids and peracids: comparison of solvation models (Q30580719) (← links)
- Molecular simulations of imidazolium-based tricyanomethanide ionic liquids using an optimized classical force field (Q33467214) (← links)
- Quantum Chemical Modeling of Hydrogen Bonding in Ionic Liquids (Q36376270) (← links)
- Computer simulations of ionic liquids at electrochemical interfaces. (Q38132342) (← links)
- Hydrogen bonding in ionic liquids (Q38315930) (← links)
- The properties of residual water molecules in ionic liquids: a comparison between direct and inverse Kirkwood-Buff approaches. (Q38675852) (← links)
- From macromolecules to electrons-grand challenges in theoretical and computational chemistry (Q38693042) (← links)
- Understanding the hydrogen bonds in ionic liquids and their roles in properties and reactions (Q38797468) (← links)
- Self-interaction error in DFT-based modelling of ionic liquids (Q38929473) (← links)
- A simple guiding principle for the temperature dependence of the solubility of light gases in imidazolium-based ionic liquids derived from molecular simulations. (Q39154406) (← links)
- Polymer-ionic liquid ternary systems for Li-battery electrolytes: Molecular dynamics studies of LiTFSI in a EMIm-TFSI and PEO blend. (Q40733034) (← links)
- Tuning the reactivity of a dissociative force field: proton transfer properties of aqueous H3O( ) and their dependence on the three-body interaction (Q41144231) (← links)
- Computational studies on organic reactivity in ionic liquids (Q44448089) (← links)
- Slow solvation in ionic liquids: connections to non-Gaussian moves and multi-point correlations (Q44793902) (← links)
- Insights on cholinium- and piperazinium-based ionic liquids under external electric fields: a molecular dynamics study (Q45330272) (← links)
- Refining classical force fields for ionic liquids: theory and application to [MMIM][Cl]. (Q45462982) (← links)
- Molecular dynamics analysis of the effect of electronic polarization on the structure and single-particle dynamics of mixtures of ionic liquids and lithium salts (Q46451609) (← links)
- On the interactions between poly(ethylene oxide) and graphite oxide: a comparative study by different computational methods (Q46469781) (← links)
- Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation study. (Q46868005) (← links)
- Influence of molecular weight on ion-transport properties of polymeric ionic liquids. (Q47178856) (← links)
- Charge Transport and Phase Behavior of Imidazolium-Based Ionic Liquid Crystals from Fully Atomistic Simulations (Q47200309) (← links)
- A relationship between the force curve measured by atomic force microscopy in an ionic liquid and its density distribution on a substrate (Q47370533) (← links)
- Towards open boundary molecular dynamics simulation of ionic liquids. (Q47994097) (← links)
- π -π stacking of imidazolium cations enhances molecular layering of room temperature ionic liquids at their interfaces (Q48050186) (← links)
- Water and hexane in an ionic liquid: computational evidence of association under high pressure. (Q48136226) (← links)
- Structure and mechanisms underlying ion transport in ternary polymer electrolytes containing ionic liquids (Q48206770) (← links)
- Effects of polarizability on the structural and thermodynamics properties of [Cnmim][Gly] ionic liquids (n = 1-4) using EEM/MM molecular dynamic simulations (Q50439523) (← links)
- The electronegativity equalization method fused with molecular mechanics: a fluctuating charge and flexible body potential function for [Emim][Gly] ionic liquids (Q50464703) (← links)
- Thermophysical properties of imidazolium tricyanomethanide ionic liquids: experiments and molecular simulation. (Q51215185) (← links)
- Assessment of atomic partial charge schemes for polarisation and charge transfer effects in ionic liquids (Q51286913) (← links)
- Morphology of Imidazolium-Based Ionic Liquids as Deposited by Vapor Deposition: Micro-/Nanodroplets and Thin Films. (Q51406587) (← links)
- Aqueous ionic liquids in comparison with standard co-solutes : Differences and common principles in their interaction with protein and DNA structures (Q52333845) (← links)
- Molecular dynamics study of the effect of alkyl chain length on melting points of [CnMIM][PF6] ionic liquids. (Q53536245) (← links)
- Solvent effects of 1-ethyl-3-methylimidazolium acetate: solvation and dynamic behavior of polar and apolar solutes. (Q53609392) (← links)
- The influence of cations on lithium ion coordination and transport in ionic liquid electrolytes: a MD simulation study. (Q53653152) (← links)
- A prototypical ionic liquid explored by ab initio molecular dynamics and Raman spectroscopy. (Q54780484) (← links)
- Ionic liquids: a brief history. (Q55004972) (← links)
- "Through-Space" Relativistic Effects on NMR Chemical Shifts of Pyridinium Halide Ionic Liquids (Q57470643) (← links)
- A joint theoretical/experimental study of the structure, dynamics, and Li transport in bis([tri]fluoro[methane]sulfonyl)imide [T]FSI-based ionic liquids (Q57837009) (← links)
- Charge-Scaling Effect in Ionic Liquids from the Charge-Density Analysis ofN,N′-Dimethylimidazolium Methylsulfate (Q57878264) (← links)
- Vapor pressures of 1,3-dialkylimidazolium bis(trifluoromethylsulfonyl)imide ionic liquids with long alkyl chains (Q58054027) (← links)
- Computational approaches to understanding reaction outcomes of organic processes in ionic liquids (Q58309413) (← links)
- Structure and dynamics of CO2 and N2 in a tetracyanoborate based ionic liquid (Q58445352) (← links)
- Mechanisms of Iodide–Triiodide Exchange Reactions in Ionic Liquids: A Reactive Molecular-Dynamics Exploration (Q62469923) (← links)
- Dynamics of Dicyanamide in Ionic Liquids is Dominated by Local Interactions (Q64027753) (← links)
- Femto- to Nanosecond Dynamics in Ionic Liquids: From Single Molecules to Collective Motions (Q64027767) (← links)
- Properties of Apolar Solutes in Alkyl Imidazolium-Based Ionic Liquids: The Importance of Local Interactions (Q86860353) (← links)
- Understanding weakly coordinating anions: tetrakis(pentafluorophenyl)borate paired with inorganic and organic cations (Q89324955) (← links)
- Accurate Diels-Alder Energies and Endo Selectivity in Ionic Liquids Using the OPLS-VSIL Force Field (Q89697459) (← links)