Archivo mensual: julio 2011

Orca

ORCA (3.0.3) is a flexible, efficient and easy-to-use general purpose tool for quantum chemistry with specific emphasis on spectroscopic properties of open-shell molecules. It features a wide variety of standard quantum chemical methods ranging from semiempirical methods to DFT to single- … Sigue leyendo

Publicado en Quantum Mechanics, Software de Cálculo | Deja un comentario