SPECI

Getting Started

  • Installation
  • General Input Files
  • Input Settings
  • Additional Settings for Advanced Users
  • General Output Files

Examples

  • Solvent Coordination: Example Case Study (LiTMP/THF)
  • Actinide Complexes: Example Case Study
  • Bimetallic IIP: Example Case Study

Automated Microkinetic Modelling

  • AUTOCOPASI: Installation & Setup
  • Example Usage: SPECI-AUTOCOPASI Integration
SPECI
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