QM computations and MD simulations are combined into several approaches to address the accuracy in computing biomolecular complexes, with aids of optimal pa
The local Schr(o)dinger equation (LSE) method is a very accurate method for solving the electronic Schr6dinger equation.It works by creating an analytic bas
SO2F2 plays important roles in the gas-insulated switchgear (GIS) equipment because it has been widely used as the characteristic gas in discharge diagnosti