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Theoretical and Computational Chemistry

Working Paper

How domain segregation in ionic liquids stabilizes nanoparticles and establish long-range ordering – a computational study

Kalil Bernardino

Version 1 posted 05 April 2024

70

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Materials Science

Working Paper

Pyrylium- and pyridinum-based ionic liquids as friction modifiers for greases

Miguel Chacon Teran, Cinderella Moustafa, Joanne Luu, Ashlie Martini, Michael Findlater

Version 1 posted 18 December 2023

102

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Physical Chemistry

Working Paper

Dynamic hyperconjugation induced bond-angle rotation isomerization mechanism and anionic conformational rigidity-dependent melting points of ionic liquids

Lin Yuan, Aikifa Raza, Dimitrios Kyritsis, Hongbo Zeng, TieJun Zhang

Version 1 posted 02 May 2023

177

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Physical Chemistry

Working Paper

Unravelling free volume in branched-cation ionic liquids based on silicon

Eduards Bakis, Kateryna Goloviznina, Inês Vaz, Diana Sloboda, Valda Valkovska, Igors Klimenkovs, Agilio Padua, Margarida Costa Gomes, Daniels Hazens

Version 1 posted 29 March 2022

151

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Theoretical and Computational Chemistry

Working Paper

Appraisal of dispersion damping functions for the effective fragment potential method

Kevin Carter-Fenk, John Herbert

Version 1 posted 25 January 2022

136

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Theoretical and Computational Chemistry

Working Paper

Impact of an Ionic Liquid Solution on Horseradish Peroxidase Activity

Shubham Chatterjee, Jorge Nochebuena, G. Andrés Cisneros

Version 3 posted 05 April 2024

263

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Earth, Space, and Environmental Chemistry

Working Paper

Molecular Modelling of Ionic Liquids: Force-Field Validation and Thermodynamic Perspective from Large-Scale Fast-Growth Solvation Free Energy Calculations

Zhaoxi Sun, Mao Wang, Qiaole He, Zhirong Liu

Version 1 posted 03 January 2022

252

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3

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Physical Chemistry

Working Paper

Assessing the Quality of Ionic Liquids Using Single Crystal Electrochemistry, Surface Science and Data Screening

Maren-Kathrin Heubach, Joachim Bansmann, Albert K. Engstfeld, Timo Jacob

Version 1 posted 07 May 2024

54

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Physical Chemistry

Working Paper

Quantitative Structure-Property Relationships (QSPR) to Predict Surface Tension and Electrical Conductivity of Ionic Liquid Propellants

Daniel Yos, Steven D. Chambreau, Debasis Sengupta, David A. Newsome, Ghanshyam L. Vaghjiani

Version 1 posted 18 July 2023

110

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Organic Chemistry

Working Paper

Applications of Mechanochemistry for the Synthesis of DNA on Ionic Liquid Supports

christopher j ohnston, christopher hardacre, marie migaud

Version 1 posted 29 December 2020

258

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Refine Search

73 results in Ionic liquids in Keywords: Ionic liquids

How domain segregation in ionic liquids stabilizes nanoparticles and establish long-range ordering – a computational study

Pyrylium- and pyridinum-based ionic liquids as friction modifiers for greases

Dynamic hyperconjugation induced bond-angle rotation isomerization mechanism and anionic conformational rigidity-dependent melting points of ionic liquids

Unravelling free volume in branched-cation ionic liquids based on silicon

Appraisal of dispersion damping functions for the effective fragment potential method

Impact of an Ionic Liquid Solution on Horseradish Peroxidase Activity

Molecular Modelling of Ionic Liquids: Force-Field Validation and Thermodynamic Perspective from Large-Scale Fast-Growth Solvation Free Energy Calculations

Assessing the Quality of Ionic Liquids Using Single Crystal Electrochemistry, Surface Science and Data Screening

Quantitative Structure-Property Relationships (QSPR) to Predict Surface Tension and Electrical Conductivity of Ionic Liquid Propellants

Applications of Mechanochemistry for the Synthesis of DNA on Ionic Liquid Supports

73 results in Keywords: Ionic liquids