Structural optimization of molecular clusters with density functional theory combined with basin hopping

Physics & Astronomy

• molecular clusters 100%
• methyl alcohol 77%
• density functional theory 58%
• optimization 50%
• water 43%
• field theory (physics) 30%
• simulated annealing 18%
• genetic algorithms 17%
• energy 13%

Chemical Compounds

• Molecular Cluster 49%
• Density Functional Theory 47%
• Methanol 46%
• Force 20%
• Energy 14%
• Annealing 11%