 Computational chemistry software

Computational chemistry software refers to a variety of computer programs and tools used to simulate and analyze chemical systems and processes using computational methods. These software packages enable chemists and researchers to perform calculations related to molecular structures, properties, and reactions, helping to predict and understand chemical behavior at the atomic and molecular levels. Here are some key aspects of computational chemistry software: ### Main Functions: 1. **Molecular Modeling**: Creating 3D representations of molecules and predicting their geometrical arrangements.