QMForge for Windows Free Download in Graphic Design Software Tag

     
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QMForge

QMForge
Version: 2.1
Platforms: Windows

Categories: Graphic Design Software
Upload Date: 14 Jul 15
Developer: Adam Tenderholt
Distribution Type: Freeware
Downloads: 2
File Size: 13307 Kb
Free Download QMForge 

Rating: 2.0/5 (Total votes: 1)


 

QMForge 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.

Requirements:

Windows 2000/XP/2003 Server/Vista

 
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Supported Operating Systems:
Windows 2000 | 
 

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