https://www.selleckchem.com/products/ami-1.html
Multicomponent quantum chemical methods seek to include nuclear quantum effects of select nuclei in quantum chemistry calculations by not invoking the Born-Oppenheimer approximation for these nuclei. In multicomponent methods, the inclusion of electron-proton correlation is essential for obtaining even qualitatively accurate protonic densities. However, most of the recently developed multicomponent methods have either used or obtained molecular orbitals from a single-reference mean-field wave function that neglects all electron-proton cor
Like
Comment
Share
