ONIOM (Our own N-layered Integrated molecular Orbital and molecular Mechanics) is a computational methodology used in quantum chemistry and computational chemistry to model large molecular systems. It is particularly useful for studying systems where certain regions require high-level quantum mechanical treatment, while others can be approximated with lower-level methods. The ONIOM approach divides the molecular system into different layers, each treated with a different level of theory.

Articles by others on the same topic (0)

There are currently no matching articles.