Multiscale modeling of the trihexyltetradecylphosphonium chloride ionic liquid
Published 2015 View Full Article
- Home
- Publications
- Publication Search
- Publication Details
Title
Multiscale modeling of the trihexyltetradecylphosphonium chloride ionic liquid
Authors
Keywords
-
Journal
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
Volume 17, Issue 34, Pages 22125-22135
Publisher
Royal Society of Chemistry (RSC)
Online
2015-07-27
DOI
10.1039/c5cp02586a
References
Ask authors/readers for more resources
Related references
Note: Only part of the references are listed.- Composition dependent structural organization in trihexyl(tetradecyl)phosphonium chloride ionic liquid-methanol mixtures
- (2015) Aditya Gupta et al. JOURNAL OF CHEMICAL PHYSICS
- Ab initiocalculation of anion proton affinity and ionization potential for energetic ionic liquids
- (2015) Caleb Carlin et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Atomistic Insight into Tetraalkylphosphonium-Bis(oxalato)borate Ionic Liquid/Water Mixtures. I. Local Microscopic Structure
- (2015) Yong-Lei Wang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Order in the chaos: the secret of the large negative entropy of dissolving 1-alkyl-3-methylimidazolium chloride in trihexyltetradecylphosphonium chloride
- (2015) Stefan Zahn et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Molecular dynamics simulation of planar elongational flow in a nematic liquid crystal based on the Gay–Berne potential
- (2015) Sten Sarman et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ionic liquid-based green processes for energy production
- (2014) Suojiang Zhang et al. CHEMICAL SOCIETY REVIEWS
- Communication: Anomalous temperature dependence of the intermediate range order in phosphonium ionic liquids
- (2014) Jeevapani J. Hettige et al. JOURNAL OF CHEMICAL PHYSICS
- Electronic Structure and Spectroscopic Analysis of 1-Ethyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide Ion Pair
- (2014) Shubham Vyas et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Atomistic Insight into Orthoborate-Based Ionic Liquids: Force Field Development and Evaluation
- (2014) Yong-Lei Wang et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Chemically Tunable Ionic Liquids with Aprotic Heterocyclic Anion (AHA) for CO2 Capture
- (2014) Samuel Seo et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Ionic Liquid Adsorption and Nanotribology at the Silica–Oil Interface: Hundred-Fold Dilution in Oil Lubricates as Effectively as the Pure Ionic Liquid
- (2014) Hua Li et al. Journal of Physical Chemistry Letters
- On the origin of ionicity in ionic liquids. Ion pairing versus charge transfer
- (2014) Oldamur Hollóczki et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Heterogeneous dynamics of ionic liquids in confined films with varied film thickness
- (2014) Yong-Lei Wang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Dissolution of cellulose in ionic liquids: an ab initio molecular dynamics simulation study
- (2014) Rajdeep Singh Payal et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Synthesis and characterization of the thermodynamic and electrochemical properties of tetra-alkyl phosphonium oxalate ionic liquids
- (2014) Mauricio Quiroz-Guzman et al. RSC Advances
- Ab Initio Prediction of Proton NMR Chemical Shifts in Imidazolium Ionic Liquids
- (2013) Su Chen et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Hydrogen-Bonding and the Dissolution Mechanism of Uracil in an Acetate Ionic Liquid: New Insights from NMR Spectroscopy and Quantum Chemical Calculations
- (2013) João M. M. Araújo et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Study of thermodynamic properties of imidazolium-based ionic liquids and investigation of the alkyl chain length effect by molecular dynamics simulation
- (2013) Saeid Yeganegi et al. MOLECULAR SIMULATION
- Multiscale coarse-grained simulations of ionic liquids: comparison of three approaches to derive effective potentials
- (2013) Yong-Lei Wang et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Assessment of Kohn–Sham density functional theory and Møller–Plesset perturbation theory for ionic liquids
- (2013) Stefan Zahn et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ionic liquid processing of cellulose
- (2012) Hui Wang et al. CHEMICAL SOCIETY REVIEWS
- Alkyltributylphosphonium chloride ionic liquids: synthesis, physicochemical properties and crystal structure
- (2012) Gabriela Adamová et al. DALTON TRANSACTIONS
- Microstructures and Interaction Analyses of Phosphonium-Based Ionic Liquids: A Simulation Study
- (2012) Xiaomin Liu et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Development of a united-atom force field for 1-ethyl-3-methylimidazolium tetracyanoborate ionic liquid
- (2012) Thomas Koller et al. MOLECULAR PHYSICS
- Refining classical force fields for ionic liquids: theory and application to [MMIM][Cl]
- (2012) Florian Dommert et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Ionic Liquids: Structure and Photochemical Reactions
- (2011) Edward W. Castner et al. Annual Review of Physical Chemistry
- Room-Temperature Ionic Liquids: Solvents for Synthesis and Catalysis. 2
- (2011) Jason P. Hallett et al. CHEMICAL REVIEWS
- Alkyltrioctylphosphonium chloride ionic liquids: synthesis and physicochemical properties
- (2011) Gabriela Adamová et al. DALTON TRANSACTIONS
- Ionic liquids studied across different scales: A computational perspective
- (2011) Katharina Wendler et al. FARADAY DISCUSSIONS
- Temperature-dependent structure of ionic liquids: X-ray scattering and simulations
- (2011) Hemant K. Kashyap et al. FARADAY DISCUSSIONS
- Surface hydrophobization of bacterial and vegetable cellulose fibers using ionic liquids as solvent media and catalysts
- (2011) Liliana C. Tomé et al. GREEN CHEMISTRY
- Measurements and Correlation of High-Pressure Densities of Phosphonium Based Ionic Liquids
- (2011) Luciana I. N. Tomé et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- Pressure–volume–temperature measurements of phosphonium-based ionic liquids and analysis with simple equations of state
- (2011) F.A.M.M. Gonçalves et al. JOURNAL OF CHEMICAL THERMODYNAMICS
- Thermophysical properties of pure and water-saturated tetradecyltrihexylphosphonium-based ionic liquids
- (2011) Catarina M.S.S. Neves et al. JOURNAL OF CHEMICAL THERMODYNAMICS
- Effect of Water and Temperature on Absorption of CO2by Amine-Functionalized Anion-Tethered Ionic Liquids
- (2011) Brett F. Goodrich et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Improved Classical United-Atom Force Field for Imidazolium-Based Ionic Liquids: Tetrafluoroborate, Hexafluorophosphate, Methylsulfate, Trifluoromethylsulfonate, Acetate, Trifluoroacetate, and Bis(trifluoromethylsulfonyl)amide
- (2011) Xiujuan Zhong et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Dry Excess Electrons in Room-Temperature Ionic Liquids
- (2011) Claudio J. Margulis et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Unravelling the mechanism of toxicity of alkyltributylphosphonium chlorides in Aspergillus nidulans conidia
- (2011) Marija Petkovic et al. NEW JOURNAL OF CHEMISTRY
- Electronic structure calculations and physicochemical experiments quantify the competitive liquid ion association and probe stabilisation effects for nitrobenzospiropyran in phosphonium-based ionic liquids
- (2011) Damien Thompson et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Novel halogen-free chelated orthoborate–phosphonium ionic liquids: synthesis and tribophysical properties
- (2011) Faiz Ullah Shah et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Improved United-Atom Force Field for 1-Alkyl-3-methylimidazolium Chloride
- (2010) Zhiping Liu et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Dynamics in an Idealized Ionic Liquid Model
- (2010) Durba Roy et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Molecular Design of High Capacity, Low Viscosity, Chemically Tunable Ionic Liquids for CO2 Capture
- (2010) B. Gurkan et al. Journal of Physical Chemistry Letters
- Equimolar CO2Absorption by Anion-Functionalized Ionic Liquids
- (2010) Burcu E. Gurkan et al. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
- Studying long-time dynamics of imidazolium-based ionic liquids with a systematically coarse-grained model
- (2010) Hossein Ali Karimi-Varzaneh et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Phosphonium-Based Ionic Liquids: An Overview
- (2009) Kevin J. Fraser et al. AUSTRALIAN JOURNAL OF CHEMISTRY
- Systematic coarse-graining of molecular models by the Newton inversion method
- (2009) Alexander Lyubartsev et al. FARADAY DISCUSSIONS
- Phosphonium ionic liquids: design, synthesis and evaluation of biodegradability
- (2009) Farzad Atefi et al. GREEN CHEMISTRY
- Transferable Coarse-Grained Models for Ionic Liquids
- (2009) Yanting Wang et al. Journal of Chemical Theory and Computation
- Ion-Pair Binding Energies of Ionic Liquids: Can DFT Compete with Ab Initio-Based Methods?
- (2009) Ekaterina I. Izgorodina et al. JOURNAL OF PHYSICAL CHEMISTRY A
- Molecular simulations of phosphonium-based ionic liquid
- (2009) Xiaomin Liu et al. MOLECULAR SIMULATION
- Synthesis, characterization and radiolytic properties of bis(oxalato)borate containing ionic liquids
- (2009) Sharon I. Lall-Ramnarine et al. RADIATION PHYSICS AND CHEMISTRY
- Why are ionic liquid ions mainly associated in water? A Car–Parrinello study of 1-ethyl-3-methyl-imidazolium chloride water mixture
- (2008) C. Spickermann et al. JOURNAL OF CHEMICAL PHYSICS
- Thermodynamical and structural properties of imidazolium based ionic liquids from molecular simulation
- (2008) Gabriele Raabe et al. JOURNAL OF CHEMICAL PHYSICS
- GROMACS 4: Algorithms for Highly Efficient, Load-Balanced, and Scalable Molecular Simulation
- (2008) Berk Hess et al. Journal of Chemical Theory and Computation
- Nuclear magnetic resonance spectroscopic studies of the trihexyl (tetradecyl) phosphonium chloride ionic liquid mixtures with water
- (2008) Jerrod Dwan et al. Open Chemistry
- Applications of ionic liquids in the chemical industry
- (2007) Natalia V. Plechkova et al. CHEMICAL SOCIETY REVIEWS
Add your recorded webinar
Do you already have a recorded webinar? Grow your audience and get more views by easily listing your recording on Peeref.
Upload NowBecome a Peeref-certified reviewer
The Peeref Institute provides free reviewer training that teaches the core competencies of the academic peer review process.
Get Started