Icon of program: QMForge

QMForge for Windows

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Editors’ Review

Download.com staff
QMForge analyzes quantum chemistry calculation results. It offers multiple methods, including population analysis, bond orders, and fragment analysis, to evaluate molecular bonding and interactions.

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  • Pros

    • Offers multiple population analysis methods
    • Calculates Mayer's bond orders between atom pairs
    • Performs Charge Decomposition Analysis
    • Conducts detailed fragment analysis
    • Quantifies fragment contributions to each molecular orbital

  • Cons

    • CDA and Fragment Analysis require multiple calculation inputs
    • Population analyses require manual user definition of fragments
Icon of program: QMForge

QMForge for Windows

Download now

Used QMForge for Windows?

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Full Specifications

GENERAL
Release
Latest update
Version
2.1
OPERATING SYSTEMS
Platform
Windows
Operating System
  • Windows 10
  • Windows Vista
  • Windows XP
  • Windows 2000
Additional Requirements
Windows 2000/XP/2003 Server/Vista
POPULARITY
Total Downloads
579
Downloads Last Week
0
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Developer’s Description

By Adam Tenderholt
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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