Systematic study of structural and thermodynamic properties of HCl(H ₂O)_n clusters from semiempirical replica exchange simulations

Physics & Astronomy

• replicas 100%
• thermodynamic properties 76%
• simulation 35%
• melting 27%
• isomers 23%
• specific heat 9%
• molecular dynamics 8%
• protons 7%
• temperature 6%
• energy 6%
• configurations 6%

Chemical Compounds

• Thermodynamic Property 83%
• Molecular Cluster 61%
• Simulation 59%
• Melting 30%
• Compound Isomer 16%
• Hamiltonian 13%
• Heat Capacity 11%
• Molecular Dynamics 8%
• Proton 7%
• Energy 5%