ArticleAccounts of chemical research2022
Hydrated Anions: From Clusters to Bulk Solution with Quasi-Chemical Theory.
Article in Accounts of chemical research, 2022. The graph could read no effect estimate from its abstract, so it casts no vote on the map. Cited by 7 papers.
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Who cites it
7 citing papers in PubMed, 20 citations in OpenAlex.
- Supramolecular Assembly and Interfacial Hydration of Tandem Repeat Dipeptides on 2D Nanomaterials: Insights From 3D-AFM Measurements and MD Simulations.Small (Weinheim an der Bergstrasse, Germany) · 2025Article
- QM Investigation of Rare Earth Ion Interactions with First Hydration Shell Waters and Protein-Based Coordination Models.The journal of physical chemistry. B · 2025Article
- Article
- Recognition of anion-water clusters by peptide-based supramolecular capsules.Nature communications · 2024Article
- Limitations of non-polarizable force fields in describing anion binding poses in non-polar synthetic hosts.Physical chemistry chemical physics : PCCP · 2023Article
- Influence of electronic polarization on the binding of anions to a chloride-pumping rhodopsin.Biophysical journal · 2023Article
- Development of AMOEBA Polarizable Force Field for Rare-Earth LaThe journal of physical chemistry. B · 2023Article
Corrections and comments
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Authors and funding
4 authors at 3 institutions in 1 country.
Funding
No grant is acknowledged in the PubMed record.
Abstract
The interactions of hydrated ions with molecular and macromolecular solution and interface partners are strong on a chemical energy scale. Here, we recount the foremost ab initio theory for the evaluation of the hydration free energies of ions, namely, quasi-chemical theory (QCT). We focus on anions, particularly halides but also the hydroxide anion, because they have been outstanding challenges for all theories. For example, this work supports understanding the high selectivity for F
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