computational-chemistry

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...

Chemcraft 2025: Essential Visualization for Computational Chemistry Chemcraft 2025 is a specialized graphical software designed for visualizing and analyzing the results of computational quantum chemistry calculations. It serves as a critical interface for researchers, turning complex numerical output from programs...