https://www.selleckchem.com/pr....oducts/crenolanib-cp
Computational studies of electrochemical interfaces based on density-functional theory (DFT) play an increasingly important role in the present research on electrochemical processes for energy conversion and storage. The homogeneous background method (HBM) offers a straightforward approach to charge the electrochemical system within DFT simulations, but it typically requires the specification of the active fraction of excess electrons based on a certain choice of the electrode-electrolyte boundary location, which can be dif