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Key Details of QMForge

  • Evaluate the results of quantum chemistry calculations.
  • Last updated on
  • There have been 6 updates
  • Virus scan status:

    Clean (it’s extremely likely that this software program is clean)


Developer’s Description

Evaluate the results of quantum chemistry calculations.

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. This version is the first release on CNET Download.com.



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Full Specifications

GENERAL
Release
Latest update
Version
2.1
OPERATING SYSTEMS
Platform
Windows
Operating System
  • Windows Vista
  • Windows 10
  • Windows XP
  • Windows 2000
Additional Requirements
Windows 2000/XP/2003 Server/Vista
POPULARITY
Total Downloads
566
Downloads Last Week
1

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