Stochastic search of molecular cluster interaction energy surfaces with coupled cluster quality prediction. The phenylacetylene dimer

Chemical Compounds

• Coupled Cluster Singles and Doubles Theory 94%
• Coupled Cluster 83%
• Interfacial Energy 65%
• Binding Energy 58%
• Compound Isomer 45%
• Molecular Cluster 43%
• Reaction Path 35%
• Charge Density 31%
• Potential Energy Surface 31%
• Energy 31%
• Methane 26%
• Benzene 23%
• Density Functional Theory 20%
• Monomer 19%
• Reaction Yield 13%

Physics & Astronomy

• molecular clusters 86%
• surface energy 63%
• dimers 60%
• isomers 43%
• binding energy 37%
• predictions 35%
• interactions 26%
• methylidyne 22%
• benzene 21%
• functionals 20%
• monomers 20%
• methane 20%
• energy 19%
• potential energy 18%
• methodology 17%
• density functional theory 16%
• perturbation 14%
• geometry 12%

Engineering & Materials Science

• Dimers 100%
• Interfacial energy 81%
• Binding energy 70%
• Isomers 65%
• Potential energy surfaces 36%
• Density functional theory 32%
• Charge density 31%
• Benzene 26%
• Monomers 26%
• Methane 20%
• Geometry 13%