Skip to content

Add kinetic analysis into ARMD #2

Description

@ms860309

The most easily one is to analyze the energy profile. Precisely, "Free energy profile".
This would be useful to connect with the "Energy span theory".

  • Free energy profile
  • Energy span theory
  • Reaction rate constant(k) calculation
  • More kinetic analysis, selectivity, yield....

Metadata

Metadata

Assignees

No one assigned

    Labels

    enhancementNew feature or request

    Projects

    No projects

      Milestone

      No milestone

      Relationships

      None yet

      Development

      No branches or pull requests

      Issue actions