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- Molecular Modeling: HyperChem allows users to build, manipulate, and visualize molecular structures in 2D and 3D.
- Molecular Mechanics and Dynamics: The software supports calculations based on molecular mechanics and dynamics, enabling the study of molecular movements and interactions over time.
- Quantum Mechanics: HyperChem offers capabilities for quantum mechanics calculations, such as Hartree-Fock and density functional theory (DFT) methods, for deeper insights into electronic structures.
- Data Analysis: The software includes tools for analyzing molecular properties, energies, and spectra.