Gaussian 98W

Gaussian 98W is a computational chemistry software widely used by chemists and scientists to perform quantum mechanics calculations on molecules and chemical reactions. It features an intuitive graphical user interface (GUI) and advanced functionality for modeling and simulating complex chemical systems.

With Gaussian 98W, users can calculate the electronic properties of molecules, optimize their geometry, determine reaction pathways, study molecular dynamics, and analyze spectroscopic data. It employs various quantum chemistry methods such as Hartree-Fock, density functional theory, and post-Hartree-Fock methods to accurately predict chemical behavior and properties.

The software supports various input and output file formats, making it compatible with other software packages and tools. It also comes with a library of pre-defined basis sets and includes features for designing customized basis sets.

Gaussian 98W is a powerful tool for computational chemistry that helps researchers gain insight into chemical systems at a quantum level.