Electronic Structure

Gaussian 16 for Linux | Advanced Computational Chemistry & Electronic Structure Modeling Software Gaussian 16 for Linux is a comprehensive, high-performance computational chemistry software package widely used for electronic structure modeling and quantum chemical calculations. It provides researchers with a...

DIRAC 6.0 | Advanced Computational Chemistry & Quantum Chemistry Platform DIRAC 6.0 is a powerful, high-performance software suite for relativistic quantum chemistry calculations. It enables accurate theoretical and computational studies of molecular systems containing heavy elements, where relativistic effects on...