pyphyschemtools documentation

Welcome to pyphyschemtools. This documentation combines computational tools with scientific theoretical reviews to support your chemical and physical chemistry workflows.

📚 Docs and Theory

• Cheminformatics
  • 2D representation of organic and inorganic compounds
• Structural Chemistry - Chemistry in 3 dimensions
• Chemical Kinetics
  • Kinetic Order of Reaction Determination, KORD
• Periodic Table
• Spectra
  • Simulation of VUV spectra by TDDFT calculations
• Fundamental Units
  • Energy
• Miscellaneous tools
  • Branded QR Code Generation

🚀 Interactive Examples

• Examples (Google Colab)

🛠 API Reference (Technical)

• pyphyschemtools
  • pyphyschemtools package