Advanced Molecular Electrostatic Potential Mapping
Currently, an increasing number of papers involve DFT calculations, with the Molecular Electrostatic Potential (MEP) being used more widely. So how can we obtain high-quality MEP maps? Let’s follow the steps outlined below. 1 Software Installation VMD Installation: https://www.ks.uiuc.edu/ Multiwfn Installation: http://sobereva.com/multiwfn/ 2 Software Preparation Locate the chk file generated after Gaussian optimization. Open Gaussian, … Read more