Insights on choline chloride–based deep eutectic solvent (reline) + primary alcohol mixtures: a molecular dynamics simulation study
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Title
Insights on choline chloride–based deep eutectic solvent (reline) + primary alcohol mixtures: a molecular dynamics simulation study
Authors
Keywords
-
Journal
JOURNAL OF MOLECULAR MODELING
Volume 28, Issue 2, Pages -
Publisher
Springer Science and Business Media LLC
Online
2022-01-07
DOI
10.1007/s00894-021-05017-3
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Note: Only part of the references are listed.- Plasma Hsp90 levels in patients with systemic sclerosis and relation to lung and skin involvement: a cross-sectional and longitudinal study
- (2021) Hana Štorkánová et al. Scientific Reports
- Distinct Solvation Structures of CO2 and SO2 in Reline and Ethaline Deep Eutectic Solvents Revealed by AIMD Simulations
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- (2021) Parisa Jahanbakhsh Bonab et al. JOURNAL OF MOLECULAR GRAPHICS & MODELLING
- Are choline chloride-based deep eutectic solvents better than methyl diethanolamine solvents for natural gas Sweetening? theoretical insights from molecular dynamics simulations
- (2021) Parisa Jahanbakhsh-Bonab et al. JOURNAL OF MOLECULAR LIQUIDS
- Exploring the structural and transport properties of glyceline DES-Based boron nitride nanotube Nanofluid: The effects of nanotube diameter
- (2021) Parisa Jahanbakhsh-Bonab et al. JOURNAL OF MOLECULAR LIQUIDS
- Ni–Co alloy electrodeposition from the cathode powder of Ni-MH spent batteries leached with a deep eutectic solvent (reline)
- (2020) M. Landa-Castro et al. JOURNAL OF ALLOYS AND COMPOUNDS
- Variation of Density, Viscosity, and Electrical Conductivity of the Deep Eutectic Solvent Reline, Composed of Choline Chloride and Urea at a Molar Ratio of 1:2, Mixed with Dimethylsulfoxide as a Cosolvent
- (2020) Vira Agieienko et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- TRAVIS—A free analyzer for trajectories from molecular simulation
- (2020) M. Brehm et al. JOURNAL OF CHEMICAL PHYSICS
- A comprehensive study of the thermophysical properties of reline and hydrated reline
- (2020) David Lapeña et al. JOURNAL OF MOLECULAR LIQUIDS
- Understanding The Role of Reline, a Natural DES, on Temperature-Induced Conformational Changes of C-Kit G-Quadruplex DNA: A Molecular Dynamics Study
- (2020) Saikat Pal et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Mechanism and Kinetics of Palladium Nanoparticles Electrochemical Formation onto Glassy Carbon, from a Deep Eutectic Solvent (Reline)
- (2020) L. Juárez-Marmolejo et al. JOURNAL OF PHYSICAL CHEMISTRY B
- The presence of deep eutectic solvents of reline and glyceline on interaction and side effect of anti-cancer drug of 5-fluorouracil: Bovine liver catalase as a target
- (2020) Adeleh Divsalar et al. JOURNAL OF MOLECULAR LIQUIDS
- How Pure and Hydrated Reline Deep Eutectic Solvents Affect the Conformation and Stability of Lysozyme: Insights from Atomistic Molecular Dynamics Simulations
- (2020) Pratibha Kumari et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Deep eutectic solvents for cathode recycling of Li-ion batteries
- (2019) Mai K. Tran et al. Nature Energy
- Experimental and theoretical investigation of solvatochromic properties and ion solvation structure in DESs of reline, glyceline, ethaline and their mixtures with PEG 400
- (2019) Meysam Aryafard et al. JOURNAL OF MOLECULAR LIQUIDS
- Catalyst–Electrolyte Interactions in Aqueous Reline Solutions for Highly Selective Electrochemical CO 2 Reduction
- (2019) Sahil Garg et al. ChemSusChem
- Structural, Thermodynamic, and Transport Properties of Aqueous Reline and Ethaline Solutions from Molecular Dynamics Simulations
- (2019) Alper T. Celebi et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Investigation of solutions of ethyl alcohol and the deep eutectic solvent of Reline for their volumetric properties
- (2018) Reza Haghbakhsh et al. FLUID PHASE EQUILIBRIA
- Densities and volumetric properties of (choline chloride + urea) deep eutectic solvent and methanol mixtures in the temperature range of 293.15–323.15 K
- (2018) Reza Haghbakhsh et al. JOURNAL OF CHEMICAL THERMODYNAMICS
- Effect of water addition on extraction ability of eutectic solvent choline chloride+ 1,2-propanediol for separation of hexane/heptane+ethanol systems
- (2018) Jelena Vuksanović et al. KOREAN JOURNAL OF CHEMICAL ENGINEERING
- OPLS Force Field for Choline Chloride-Based Deep Eutectic Solvents
- (2018) Brian Doherty et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Solvation analysis of some Solvatochromic probes in binary mixtures of reline, ethaline, and glyceline with DMSO
- (2016) Ali Reza Harifi-Mood et al. JOURNAL OF MOLECULAR LIQUIDS
- Physical Properties and Hydrogen-Bonding Network of Water–Ethanol Mixtures from Molecular Dynamics Simulations
- (2016) A. Ghoufi et al. JOURNAL OF PHYSICAL CHEMISTRY B
- Assessing the toxicity and biodegradability of deep eutectic solvents
- (2015) Qing Wen et al. CHEMOSPHERE
- Characteristics and intermolecular interaction of eutectic binary mixtures: Reline and Glyceline
- (2015) Farouq Sabri Mjalli et al. KOREAN JOURNAL OF CHEMICAL ENGINEERING
- Deep Eutectic Solvents (DESs) and Their Applications
- (2014) Emma L. Smith et al. CHEMICAL REVIEWS
- Densities and dynamic viscosities of (choline chloride+glycerol) deep eutectic solvent and its aqueous mixtures in the temperature range (283.15–363.15)K
- (2014) Anita Yadav et al. FLUID PHASE EQUILIBRIA
- Electrodeposited CZTS solar cells from Reline electrolyte
- (2014) Hao Chen et al. GREEN CHEMISTRY
- Experimental and Computational Studies of Choline Chloride-Based Deep Eutectic Solvents
- (2014) Sasha L. Perkins et al. JOURNAL OF CHEMICAL AND ENGINEERING DATA
- Solubility of carbon dioxide in aqueous mixtures of (reline+monoethanolamine) at T=(313.2 to 353.2)K
- (2014) Yi-Hong Hsu et al. JOURNAL OF CHEMICAL THERMODYNAMICS
- Effect of water on the thermo-physical properties of Reline: An experimental and molecular simulation based approach
- (2014) Dhawal Shah et al. PHYSICAL CHEMISTRY CHEMICAL PHYSICS
- Natural deep eutectic solvents as new potential media for green technology
- (2013) Yuntao Dai et al. ANALYTICA CHIMICA ACTA
- Electrochemical study and electrodeposition of copper(I) in ionic liquid-reline
- (2013) Ana-Maria Popescu et al. CHEMICAL RESEARCH IN CHINESE UNIVERSITIES
- Evaluation of deep eutectic solvent–water binary mixtures for lipase-catalyzed lipophilization of phenolic acids
- (2013) Erwann Durand et al. GREEN CHEMISTRY
- Theoretical study on the structures and properties of mixtures of urea and choline chloride
- (2013) Hui Sun et al. JOURNAL OF MOLECULAR MODELING
- Recent developments in deep eutectic solvents in chemical sciences
- (2013) Baokun Tang et al. MONATSHEFTE FUR CHEMIE
- Deep-eutectic solvents playing multiple roles in the synthesis of polymers and related materials
- (2012) Daniel Carriazo et al. CHEMICAL SOCIETY REVIEWS
- Deep eutectic solvents: syntheses, properties and applications
- (2012) Qinghua Zhang et al. CHEMICAL SOCIETY REVIEWS
- Preparation of crystalline zinc oxide films by one-step electrodeposition in Reline
- (2012) Mohammad Harati et al. MATERIALS LETTERS
- Vapor pressure of aqueous choline chloride-based deep eutectic solvents (ethaline, glyceline, maline and reline) at 30–70°C
- (2012) Sheng-Hong Wu et al. THERMOCHIMICA ACTA
- PACKMOL: A package for building initial configurations for molecular dynamics simulations
- (2009) L. Martínez et al. JOURNAL OF COMPUTATIONAL CHEMISTRY
- Deuterium Kinetic Isotope Effects in Microsolvated Gas-Phase E2 Reactions: Methanol and Ethanol as Solvents
- (2008) N EYET et al. JOURNAL OF THE AMERICAN SOCIETY FOR MASS SPECTROMETRY
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