Density functional theory (DFT) study of water autoionization in solvated clusters

Also Consider

Synapse has enriched 5 closely related papers on similar clinical questions. Consider them for comparative context:

1. 1Reliable Structures and Electronic Energies of Small Water Clusters Using Density Functional and Local Correlation Coupled Cluster Model Chemistries2025
2. 2Many-body cooperativity in water clusters revealed by information decomposition and finite-size scaling analysis with machine learning2026
3. 3Enhancing Automation and Interpretability of Vibrational Spectra Predictions for Water Clusters from Diffusion Monte Carlo2025
4. 4Systematic Evaluation of a Cluster-Continuum-Model Workflow to Compute the Free Energies of Solvation of Ions in Different Solvents2026 · 1 citations
5. 5Effect of humidity on the first steps of atmospheric new particles formation: Computational study of hydrated molecular clusters2025