Check your speedQMForge is a program used to analyze the results of quantum chemistry (DFT) calculations. The following analyses are available: Mulliken Population Analysis (MPA). C-squared Population Analysis (SCPA). Overlap Population Analysis (OPA). Mayer's Bond Orders. Charge Decomposition Analysis (CDA). Fragment Analysis.
MPA, CSPA, and OPA require a user-defined set of fragments, and prints the percent contributions those fragments make towards each molecular orbital in the molecule. Mayer's bond orders calculates the bond orders between each pair of atoms in the molecule. CDA and Fragment Analysis require three or more calculations (one for the entire molecule, and two fragment calculations), and provide information about the bonding interactions between fragments. This version is the first release on CNET Download.com.
Did you find this download useful?
9 out of 21 users found this download useful
People who downloaded this software also downloaded...
3D Architecture Animation Creator Professional 1.2
plugin to help designers to create animations
AutoXlsTable for IntelliCAD 1
Build table or import Excel spreadsheet into CAD environment.
