Specific Reaction Parameter Density Functional Based on the Meta-Generalized Gradient Approximation: Application to H(2) + Cu(111) and H(2) + Ag(111)

Παρόμοια τεκμήρια

• Performance of Made Simple Meta-GGA Functionals with rVV10 Nonlocal Correlation for H(2) + Cu(111), D(2) + Ag(111), H(2) + Au(111), and D(2) + Pt(111)
  ανά: Smeets, Egidius W. F., κ.ά.
  Έκδοση: (2021)
• Test of the Transferability of the Specific Reaction Parameter Functional for H(2) + Cu(111) to D(2) + Ag(111)
  ανά: Nour Ghassemi, Elham, κ.ά.
  Έκδοση: (2018)
• Transferability of the Specific Reaction Parameter Density Functional for H(2) + Pt(111) to H(2) + Pt(211)
  ανά: Ghassemi, Elham Nour, κ.ά.
  Έκδοση: (2019)
• Density Functional Theory for Molecule–Metal Surface Reactions: When Does the Generalized Gradient Approximation Get It Right, and What to Do If It Does Not
  ανά: Gerrits, Nick, κ.ά.
  Έκδοση: (2020)
• Quantum Dynamics of Dissociative Chemisorption of H(2) on the Stepped Cu(211) Surface
  ανά: Smeets, Egidius W. F., κ.ά.
  Έκδοση: (2019)