Describing the Diverse Geometries of Gold from Nanoclusters to Bulk - A First-Principles-Based Hybrid Bond-Order Potential

Chemistry

• Bond Order 100%
• Potential 100%
• Particle Size 100%
• Structure 80%
• Density Functional Theory 40%
• Energetics 40%
• Nanoclusters 40%
• Energy 40%
• Configuration 40%
• Force Field 40%
• Thermodynamics 20%
• Condensed Phase 20%
• First Principle 20%
• Pyramidal Crystal 20%
• Interfacial Energy 20%
• Chemical Bond 20%
• Timescale Dynamics 20%
• Concentration 20%
• Surface 20%
• Atom 20%
• Application 20%
• Device 20%
• Molecular Dynamics 20%
• Density 20%
• Optimization 20%
• Length 20%
• Elastic Property 20%

INIS

• hybrids 100%
• size 80%
• range 40%
• nanostructures 40%
• energy 40%
• geometry 40%
• configuration 40%
• density functional method 40%
• data 20%
• levels 20%
• space 20%
• tools 20%
• stability 20%
• surfaces 20%
• atoms 20%
• tubes 20%
• devices 20%
• thermodynamics 20%
• simulation 20%
• applications 20%
• dynamics 20%
• length 20%
• failures 20%
• optimization 20%
• molecular dynamics method 20%
• density 20%
• gold 20%
• dispersions 20%
• genetic algorithms 20%
• elastic properties 20%
• short-range interactions 20%
• critical size 20%
• surface energy 20%
• bop 20%