Extended Conductor-like Polarizable Continuum Solvation Model (CPCM-X) for Semiempirical Methods

We have developed a new method to accurately account for solvation effects in semiempirical quantum mechanics based on a polarizable continuum model (PCM). The extended conductor-like polarizable continuum model (CPCM-X) incorporates a computationally efficient domain decomposition conductor-like sc... View More