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Use of ab Initio Calculations toward the Rational Design of Room Temperature Ionic Liquids
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Ionic liquids. Green solvents for the future
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inferred← citeshttps://doi.org/10.1002/9781118434987.ch6openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9781118839706.ch3openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/9781118840061.ch11openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/adsu.201700070openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/aic.11339openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/aic.11495openalex-snapshot
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inferred← citeshttps://doi.org/10.1002/cphc.201801206openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s10953-009-9435-yopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11172-009-0246-5openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11224-006-9044-yopenalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11224-009-9448-6openalex-snapshot
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inferred← citeshttps://doi.org/10.1007/s11581-014-1341-7openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-12-801347-2.00002-1openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-12-801347-2.00003-3openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-444-63257-9.00001-8openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/b978-0-444-63428-3.50191-0openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.apradiso.2021.110017openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.carbpol.2021.118171openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cej.2008.11.016openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cej.2010.09.015openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.ces.2022.117851openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chemphys.2019.110572openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.chroma.2003.10.127openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.compchemeng.2012.02.021openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.compchemeng.2015.04.009openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.comptc.2013.04.007openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.comptc.2014.12.021openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.comptc.2015.01.012openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.comptc.2021.113353openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cplett.2005.02.109openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cplett.2005.05.114openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cplett.2006.04.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cplett.2008.04.070openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cplett.2010.07.085openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cplett.2011.09.065openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cplett.2012.05.072openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.cplett.2021.138399openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.crci.2007.02.021openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.envres.2019.05.005openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.eurpolymj.2018.07.026openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.fluid.2007.03.033openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.fluid.2008.11.019openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.fluid.2010.02.027openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.fluid.2011.09.006openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.fluid.2013.10.032openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.fluid.2017.12.016openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.fluid.2019.06.027openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.fluid.2020.112767openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.gee.2024.01.009openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.heliyon.2021.e06065openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jct.2006.05.008openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jct.2010.03.001openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jct.2014.07.018openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jfluchem.2006.10.016openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jfluchem.2013.05.009openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jpowsour.2009.10.029openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jpowsour.2014.07.055openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jssc.2004.06.046openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.jssc.2005.03.008openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.molliq.2018.10.012openalex-snapshot
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inferred← citeshttps://doi.org/10.1016/j.molliq.2024.124332openalex-snapshot
Insight into the role of hydrogen bond donor in deep eutectic solvents
inferred← citeshttps://doi.org/10.1016/j.molliq.2024.125360openalex-snapshot
Thermal behaviors and DC conductivity of linker spacer influence on polymerized ionic liquids with bis-imidazolium embedding in the backbone chain
inferred← citeshttps://doi.org/10.1016/j.molliq.2025.127601openalex-snapshot
Design and characterization of novel ionic liquids (ILs) containing natural compounds such as tryptophan, fructose, and adenine; the ILs stabilized via H-bonds and anomeric effect
inferred← citeshttps://doi.org/10.1016/j.molstruc.2012.02.031openalex-snapshot
Molecular interactions and macroscopic effects in binary mixtures of an imidazolium ionic liquid with water, methanol, and ethanol
inferred← citeshttps://doi.org/10.1016/j.molstruc.2013.01.046openalex-snapshot
Interactions in 1-ethyl-3-methyl imidazolium tetracyanoborate ion pair: Spectroscopic and density functional study
inferred← citeshttps://doi.org/10.1016/j.molstruc.2016.11.067openalex-snapshot
Hydrogen bonding interactions in nicotinamide Ionic Liquids: A comparative spectroscopic and DFT studies
inferred← citeshttps://doi.org/10.1016/j.molstruc.2017.02.053openalex-snapshot
An investigation on the physicochemical properties of the nanostructured [(4-X)PMAT][N(CN) 2 ] ion pairs as energetic and tunable aryl alkyl amino tetrazolium based ionic liquids
inferred← citeshttps://doi.org/10.1016/j.molstruc.2017.05.138openalex-snapshot
Synthesis, conductivity, and vibrational spectroscopy of tetraphenylphosphonium bis(trifluoromethanesulfonyl)imide
inferred← citeshttps://doi.org/10.1016/j.molstruc.2019.05.021openalex-snapshot
Probing phenol dimer in molecular complex: Role of nitro group and stabilizing agent
inferred← citeshttps://doi.org/10.1016/j.molstruc.2021.131679openalex-snapshot
Drastic influence of amide functionality and alkyl chain length dependent physical, thermal and structural properties of new pyridinium-amide cation based biodegradable room temperature ionic liquids
inferred← citeshttps://doi.org/10.1016/j.nanoen.2014.03.018openalex-snapshot
Conjugated polyfluorene imidazolium ionic liquids intercalated reduced graphene oxide for high performance supercapacitor electrodes
inferred← citeshttps://doi.org/10.1016/j.saa.2017.12.048openalex-snapshot
Evidence of C--F-P and aromatic π--F-P weak interactions in imidazolium ionic liquids and its consequences
inferred← citeshttps://doi.org/10.1016/j.solidstatesciences.2005.12.018openalex-snapshot
Crystal structures of frozen room temperature ionic liquids, 1-ethyl-3-methylimidazolium tetrafluoroborate (EMImBF4), hexafluoroniobate (EMImNbF6) and hexafluorotantalate (EMImTaF6), determined by low-temperature X-ray diffraction
inferred← citeshttps://doi.org/10.1016/j.supflu.2014.10.002openalex-snapshot
Kinetics and polarity effects in the synthesis of the ionic liquid, 1-hexyl-3-methyl-imidazolium bromide, using compressed CO2
inferred← citeshttps://doi.org/10.1016/j.tca.2004.03.015openalex-snapshot
Lattice and phase transition thermodynamics of ionic liquids
inferred← citeshttps://doi.org/10.1016/j.tca.2006.01.006openalex-snapshot
Confined rapid thermolysis/FTIR/ToF studies of imidazolium-based ionic liquids
inferred← citeshttps://doi.org/10.1016/j.tca.2013.09.023openalex-snapshot
Thermal stability and crystallization behavior of imidazolium halide ionic liquids
inferred← citeshttps://doi.org/10.1016/j.tetlet.2013.06.050openalex-snapshot
Synthesis of novel pyrano[3,2-c]quinoline-2,5-diones using an acidic ionic liquid catalyst
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.09.044openalex-snapshot
Theoretical investigation on the structural and electronic properties of complexes formed by N7,N9-dimethylguaninium and different anions
inferred← citeshttps://doi.org/10.1016/j.theochem.2009.11.027openalex-snapshot
Study on the relationship between the interaction energy and the melting point of amino acid cation based ionic liquids
inferred← citeshttps://doi.org/10.1016/j.theochem.2010.05.029openalex-snapshot
An insight into microscopic properties of aprotic ionic liquids: A DFT study
inferred← citeshttps://doi.org/10.1016/j.vibspec.2016.05.004openalex-snapshot
Vibrational signatures of anionic cyano groups in imidazolium ionic liquids
inferred← citeshttps://doi.org/10.1016/s1003-6326(15)63607-xopenalex-snapshot
Mechanism analysis of ions interaction in MgCl2/LiCl solution and effect of lithium on ammonia precipitation products
inferred← citeshttps://doi.org/10.1016/s1003-9953(07)60029-2openalex-snapshot
Ab Initio Calculation of Room Temperature Ionic Liquid 1-Ethyl-3-Methyl-Imidazolium Chlorocuprate (I)
inferred← citeshttps://doi.org/10.1021/acs.cgd.0c01419openalex-snapshot
Structural Chemistry and Stimuli-Responsive Phase Transition of N,N′-Dialkylimidazolium Nonafluorobutanesulfonate Ionic Liquids
inferred← citeshttps://doi.org/10.1021/acs.cgd.5b01551openalex-snapshot
Structural Transitions of 1-Butyl-3-methylimidazolium Chloride/Water Mixtures Studied by Raman and FTIR Spectroscopy and WAXS
inferred← citeshttps://doi.org/10.1021/acs.chemrev.6b00528openalex-snapshot
Quantum Chemical Methods for the Prediction of Energetic, Physical, and Spectroscopic Properties of Ionic Liquids
inferred← citeshttps://doi.org/10.1021/acs.iecr.5b01962openalex-snapshot
Phase Equilibria upon Denitrification of Liquid Fuels Using Imidazolium-Based Ionic Liquids: Experiment and Quantum Chemical Calculations
inferred← citeshttps://doi.org/10.1021/acs.jced.9b00776openalex-snapshot
Structure–Property Relationship for 1-Isopropyl-3-methylimidazolium- and 1-tert-Butyl-3-methylimidazolium-Based Ionic Liquids: Thermal Properties, Densities, Viscosities, and Quantum Chemical Calculations
inferred← citeshttps://doi.org/10.1021/acs.jpca.0c01282openalex-snapshot
Ion Pair Structures and Hydrogen Bonding in RnNH4–nAlkylammonium Ionic Liquids with Hydrogen Sulfate and Mesylate Anions by DFT Computations
inferred← citeshttps://doi.org/10.1021/acs.jpca.6b03849openalex-snapshot
Molecular Structure and Interactions in the Ionic Liquid 1-Ethyl-3-methylimidazolium Trifluoromethanesulfonate
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b04116openalex-snapshot
Impact of Size and Electronegativity of Halide Anions on Hydrogen Bonds and Properties of 1-Ethyl-3-methylimidazolium-Based Ionic Liquids
inferred← citeshttps://doi.org/10.1021/acs.jpca.9b07838openalex-snapshot
How and Why a Protic Ionic Liquid Efficiently Catalyzes Chemical Fixation of CO2 to Quinazoline-2,4-(1H,3H)-diones: Electrostatically Controlled Reactivity
inferred← citeshttps://doi.org/10.1021/acs.jpcb.0c10259openalex-snapshot
Screening Ionic Liquids Based on Ionic Volume and Electrostatic Potential Analyses
inferred← citeshttps://doi.org/10.1021/acs.jpcb.1c01508openalex-snapshot
Solubility Behavior of CO2 in Ionic Liquids Based on Ionic Polarity Index Analyses
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5b09101openalex-snapshot
Terahertz and Infrared Spectroscopy of Room-Temperature Imidazolium-Based Ionic Liquids
inferred← citeshttps://doi.org/10.1021/acs.jpcb.5c07289openalex-snapshot
Combined Experimental and Computational Study on the Structure–Property Relationships of Mono- and Dicationic Imidazolium Ionic Liquids for CO 2 Capture
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6b00731openalex-snapshot
Structures and Electronic Properties of Lithium Chelate-Based Ionic Liquids
inferred← citeshttps://doi.org/10.1021/acs.jpcb.6b07166openalex-snapshot
Comprehensive Conformational and Rotational Analyses of the Butyl Group in Cyclic Cations: DFT Calculations for Imidazolium, Pyridinium, Pyrrolidinium, and Piperidinium
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b01469openalex-snapshot
Cation Conformational Changes of 1-Butyl-3-methylimidazolium Halides at High Pressures
inferred← citeshttps://doi.org/10.1021/acsami.6b12751openalex-snapshot
Influence of Polar Organic Solvents in an Ionic Liquid Containing Lithium Bis(fluorosulfonyl)amide: Effect on the Cation–Anion Interaction, Lithium Ion Battery Performance, and Solid Electrolyte Interphase
inferred← citeshttps://doi.org/10.1021/acsapm.1c01814openalex-snapshot
Universality in Solution Properties of Polymers in Ionic Liquids
inferred← citeshttps://doi.org/10.1021/acsomega.0c05769openalex-snapshot
Infrared Spectroscopy in the Middle Frequency Range for Various Imidazolium Ionic Liquids─Common Spectroscopic Characteristics of Vibrational Modes with In-Plane +C(2)–H and +C(4,5)–H Bending Motions and Peak Splitting Behavior Due to Local Symmetry Breaking of Vibrational Modes of the…
inferred← citeshttps://doi.org/10.1021/acsomega.2c02601openalex-snapshot
Infrared and Terahertz Spectroscopic Investigation of Imidazolium, Pyridinium, and Tetraalkylammonium Tetrafluoroborate Ionic Liquids
inferred← citeshttps://doi.org/10.1021/acssuschemeng.5c07350openalex-snapshot
Structurally Tailored Antibacterial Quaternary Ammonium Salts with Ionic Liquid Properties for Antimicrobial Purposes: Design and Thermophysical Insights
inferred← citeshttps://doi.org/10.1021/cbe.6c00125openalex-snapshot
Highly Selective Capture of Low-Concentration Sulfur Dioxide in Hydroxyl-Functionalized Ionic Microporous Polymers through Multiple Interactions
inferred← citeshttps://doi.org/10.1021/cg030086iopenalex-snapshot
Cocrystal of an Ionic Liquid with Organic Molecules as a Mimic of Ionic Liquid Solution
inferred← citeshttps://doi.org/10.1021/cg060746uopenalex-snapshot
Solid-State Analysis of Low-Melting 1,3-Dialkylimidazolium Hexafluorophosphate Salts (Ionic Liquids) by Combined X-ray Crystallographic and Computational Analyses
inferred← citeshttps://doi.org/10.1021/cg200169uopenalex-snapshot
Solid-State Structures of Double-Long-Chain Imidazolium Ionic Liquids: Influence of Anion Shape on Cation Geometry and Crystal Packing
inferred← citeshttps://doi.org/10.1021/cg401293gopenalex-snapshot
Determination of Missing Crystal Structures in the 1-Alkyl-3-methylimidazolium Hexafluorophosphate Series: Implications on Structure–Property Relationships
inferred← citeshttps://doi.org/10.1021/cm102263sopenalex-snapshot
PEGylated Imidazolium Ionic Liquid Electrolytes: Thermophysical and Electrochemical Properties
inferred← citeshttps://doi.org/10.1021/ef402401dopenalex-snapshot
Synthesis and Characterization of Functionalized Ionic Liquids for Thermal Storage
inferred← citeshttps://doi.org/10.1021/ic034281yopenalex-snapshot
Uranyl and Strontium Salt Solvation in Room-Temperature Ionic Liquids. A Molecular Dynamics Investigation
inferred← citeshttps://doi.org/10.1021/ic049386vopenalex-snapshot
Solvation of Uranyl(II) and Europium(III) Cations and Their Chloro Complexes in a Room-Temperature Ionic Liquid. A Theoretical Study of the Effect of Solvent “Humidity”
inferred← citeshttps://doi.org/10.1021/ic060822iopenalex-snapshot
Syntheses and Characterization of Unsymmetric Dicationic Salts Incorporating Imidazolium and Triazolium Functionalities
inferred← citeshttps://doi.org/10.1021/ie051116copenalex-snapshot
Prediction of Binary VLE for Imidazolium Based Ionic Liquid Systems Using COSMO-RS
inferred← citeshttps://doi.org/10.1021/ie1013772openalex-snapshot
Critical-Point Temperature of Ionic Liquids from Surface Tension at Liquid−Vapor Equilibrium and the Correlation with the Interaction Energy
inferred← citeshttps://doi.org/10.1021/ie101601vopenalex-snapshot
Nonadditive Hard-Sphere Reference Model for Ionic Liquids
inferred← citeshttps://doi.org/10.1021/ie101653nopenalex-snapshot
Corresponding States Theory for the Freezing of Ionic Liquids
inferred← citeshttps://doi.org/10.1021/ie403293zopenalex-snapshot
Myths and Realities about Existing Methods for Calculating the Melting Temperatures of Ionic Liquids
inferred← citeshttps://doi.org/10.1021/ja038973xopenalex-snapshot
Basicity of Nucleophilic Carbenes in Aqueous and Nonaqueous SolventsTheoretical Predictions
inferred← citeshttps://doi.org/10.1021/ja502527yopenalex-snapshot
Ultrafast Vibrational Dynamics and Energy Transfer in Imidazolium Ionic Liquids
inferred← citeshttps://doi.org/10.1021/je060369popenalex-snapshot
Ion Pair Formation of 1-Alkyl-3-methylimidazolium Salts in Water
inferred← citeshttps://doi.org/10.1021/je200924eopenalex-snapshot
Aromatic Extraction Using Mixed Ionic Liquids: Experiments and COSMO-RS Predictions
inferred← citeshttps://doi.org/10.1021/je5004675openalex-snapshot
Molecular Dynamics and ab Initio Studies of the Effects of Substituent Groups on the Thermodynamic Properties and Structure of Four Selected Imidazolium-Based [Tf2N–] Ionic Liquids
inferred← citeshttps://doi.org/10.1021/je800152dopenalex-snapshot
Ion Pair Formation of Alkylimidazolium Ionic Liquids in Dichloromethane
inferred← citeshttps://doi.org/10.1021/je900694mopenalex-snapshot
Stability of Ion Pairs of Bis(trifluoromethanesulfonyl)amide-Based Ionic Liquids in Dichloromethane
inferred← citeshttps://doi.org/10.1021/jo070973iopenalex-snapshot
An Acidity Scale of 1,3-Dialkylimidazolium Salts in Dimethyl Sulfoxide Solution
inferred← citeshttps://doi.org/10.1021/jp036229topenalex-snapshot
M3+ Lanthanide Chloride Complexes in “Neutral” Room Temperature Ionic Liquids: A Theoretical Study
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