DAMQT 3: Advanced suite for the analysis of molecular density and related properties in large systems

Topology of electrostatic potential and electron density reveals a covalent to non-covalent carbon–carbon bond continuum

“…23,25,[36][37][38] The MESP and MED topology analyses are considered to be powerful tools to analyze the electronic distribution in s-, p-, non-covalently bonded and non-bonded regions in molecules. Recently developed DAMQT (deformed atoms in molecules quantum theory) software 39,40 also offers the MESP topology computation. [41][42][43][44] DAMQT is a package for the analysis and visualization of MESP and MED in atoms and molecules, and related properties such as deformation density, as well as the critical points of MESP and MED.…”