ArticlePhysical chemistry chemical physics : PCCP2022
Emulating proton transfer reactions in the pseudo-protic ionic liquid 1-methylimidazolium acetate.
Article in Physical chemistry chemical physics : PCCP, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 6 papers.
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Who cites it
6 citing papers in PubMed.
- Parametrizing reaction probabilities for proton transfers in protic ionic liquids.Frontiers in chemistry · 2026Article
- Addressing pathological deficiencies in the simulation of complex charged fluids using neural network force fields.Scientific reports · 2025Article
- Proton Transfer Equilibrium in Pseudoprotic Ionic Liquids: Inferences on Ionic Populations.The journal of physical chemistry. B · 2025Article
- Updates to Protex for Simulating Proton Transfers in an Ionic Liquid.The journal of physical chemistry. B · 2024Article
- Article
- Protex-A Python utility for proton exchange in molecular dynamics simulations.Frontiers in chemistry · 2023Article
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Authors and funding
4 authors.
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Abstract
Proton transfer reactions can enhance conductivity in protic ionic liquids. However, several proton reactions are possible in a multicomponent system of charged and neutral species, resulting in a complex reaction network. Probabilities and equilibrium concentrations of the involved species are modeled by the combination of reducible Markov chains and quantum-mechanical calculations.
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Registered trials
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