Quantum Chemical Estimation of Acetone Physisorption on Graphene Using Combined Basis Set and Size Extrapolation Schemes

Engineering & Materials Science

• Physisorption 100%
• Acetone 75%
• Graphene 70%
• Extrapolation 64%
• Set theory 38%
• Density functional theory 29%
• Charge density 27%
• Monolayers 25%
• Atoms 20%
• Molecules 19%
• Carbon 14%
• Defects 13%

Chemical Compounds

• Physisorption 62%
• Acetone 46%
• CCSD 43%
• Graphene 42%
• Flake Like Crystal 41%
• Coupled Cluster Theory 26%
• Nanoflake 23%
• Perturbation Theory 22%
• Chemical Method 18%
• Intermolecular Force 17%
• Hexagonal Space Group 15%
• Monolayer 14%
• Density Functional Theory 12%
• Energy 9%
• Carbon Atom 9%
• Molecule 6%

Physics & Astronomy

• acetone 66%
• extrapolation 55%
• graphene 48%
• flakes 45%
• functionals 18%
• perturbation theory 16%
• interactions 15%
• density functional theory 15%
• scaling 13%
• carbon 13%
• gradients 12%
• defects 10%
• molecules 10%
• approximation 10%
• atoms 9%
• performance 8%
• energy 5%