Molecular hydrogen interaction with IRMOF-1: A multiscale theoretical study

Chemical Compounds

• Dihydrogen 100%
• Dipole 89%
• Perturbation Theory 52%
• Physisorption 47%
• Potential Energy 45%
• Hydrogen 45%
• Energy 42%
• Error 33%
• Force 30%
• Density Functional Theory 28%

Engineering & Materials Science

• Physisorption 76%
• Hydrogen 71%
• Density functional theory 67%
• Potential energy 49%
• Set theory 28%
• Costs 17%

Physics & Astronomy

• hydrogen 55%
• dipoles 44%
• interactions 35%
• potential energy 25%
• perturbation theory 25%
• density functional theory 23%
• costs 22%
• shift 18%
• energy 17%
• curves 16%