What Does NBO Stand For?

NBO stands for Natural Bond Order

Natural Bond Order (NBO) is a theoretical framework in quantum chemistry that provides a method for interpreting the electronic structure of molecules. It analyzes the distribution of electron density among bonds, allowing for a more intuitive understanding of chemical bonding compared to traditional valence bond theory. NBO calculations contribute to the elucidation of molecular properties, reactivity, and stability by offering insights into the nature of interactions between atoms in a compound. This approach is widely utilized in computational chemistry to improve the accuracy of molecular modeling and prediction of chemical behavior.