Exploring americium and curium water clusters: gas-phase structures, solvation numbers, solvent and entropy effects
Abstract
We investigated the global-minimum structures, bonding interactions, and solvation behaviors of An(H 2 O) n 3+ (An = Am 3+ , Cm 3+ ; n = 1–20) using DFT, and large Am(H 2 O) n 3+ clusters ( n = 50–600) at the force field level.
Fields of Study & Subjects
Radioactive element chemistry and processing
Advanced Chemical Physics Studies
Nuclear Materials and Properties
Publication details
- Journal / source
- Physical Chemistry Chemical Physics
- Publisher
- Royal Society of Chemistry (RSC)
- Volume
- 28
- Issue
- 11
- Pages
- 7077–7092
- Publication date
- 1 January 2026
- Language
- EN