Quantum nuclear ab Initio molecular dynamics study of water wires

Physics & Astronomy

• wire 66%
• molecular dynamics 64%
• water 50%
• protons 45%
• molecules 26%
• distribution functions 15%
• covalent bonds 12%
• solvation 10%
• caps 10%
• ions 9%
• angular distribution 8%
• methodology 7%
• degrees of freedom 7%
• density functional theory 7%
• simulation 7%
• costs 7%
• electronic structure 7%
• valence 7%
• vibration 6%
• hydrogen 6%
• room temperature 5%
• configurations 5%

Engineering & Materials Science

• Protons 71%
• Wire 66%
• Water 48%
• Molecules 48%
• Distribution functions 20%
• Ions 18%
• Proton transfer 18%
• Covalent bonds 16%
• Solvation 15%
• Angular distribution 15%
• Density functional theory 14%
• Electronic structure 14%
• Hydrogen 7%
• Temperature 3%
• Costs 3%

Chemical Compounds

• Proton 58%
• Tetramer 29%
• Angular Distribution Function 26%
• Bond Model 22%
• Distribution Function 18%
• Tunneling 15%
• Proton Transfer 13%
• Solvation 12%
• Ion 11%
• Molecular Dynamics 10%
• Electronic State 10%
• Molecular Cluster 9%
• Density Functional Theory 9%
• Ambient Reaction Temperature 8%
• Hydrogen 7%