Q-CHEM.2023.V6.1.1
Q-Chem is an ab initio quantum chemistry software package for fast and accurate simulations of molecular systems, including electronic and molecular structure, reactivities, properties, and structure. Q-Chem is a robust software platform with an extensive set of features. Whether you want to study spin-orbit coupling effects in a single-molecule magnet, run high-throughput calculations on small organic molecules, study an enzyme using QM/MM, or something entirely different, Q-Chem software package offers a wide range of solutions for a variety of applications.