Hydration properties of Cm(iii) and Th(iv) combining coordination free energy profiles with electronic structure analysis

Physics & Astronomy

• hydration 100%
• free energy 77%
• electronic structure 71%
• water 53%
• profiles 51%
• ions 35%
• molecules 30%
• electrostatics 28%
• molecular dynamics 27%
• coordination number 21%
• density functional theory 14%
• curves 10%
• interactions 7%
• simulation 7%

Chemical Compounds

• Gibbs Free Energy 71%
• Electronic State 69%
• Molecular Dynamics 46%
• Molecule 33%
• Energy Barrier 30%
• Ion 24%
• Simulation 20%
• Density Functional Theory 19%