Development and validation of a ReaxFF reactive force field for Cu-cation/water interactions and copper metal/metal oxide/metal hydroxide condensed phases

Lignende værker

• Development of a ReaxFF Reactive Force Field for Glycine and Application to Solvent Effect and Tautomerization
  af: Rahaman, Obaidur, et al.
  Udgivet: (2010)
• ReaxFF/AMBER—A Framework for Hybrid Reactive/Nonreactive Force Field Molecular Dynamics Simulations
  af: Rahnamoun, Ali, et al.
  Udgivet: (2020)
• ReaxFF Molecular Dynamics Simulation of Hydrostatic and Uniaxial Compression of Nitrate Energetic Materials
  af: Zhang, Yaping, et al.
  Udgivet: (2020)
• Development of ReaxFF Reactive Force Field for Aqueous Iron–Sulfur Clusters with Applications to Stability and Reactivity in Water
  af: Moerman, Evgeny, et al.
  Udgivet: (2021)
• Thermal decomposition of Huadian oil shale: Part 2. The role of bonds in the kerogen skeleton chain during pyrolysis evaluated by ReaxFF MD simulations
  af: Xiangxin Han, et al.
  Udgivet: (2024-10-01)