GhostFragment
0.0.1

Contents:

  • Theoretical Background
    • Fragment Based Methods
    • The Many-Body Expansion
    • Basis Set Superposition Error
    • Established Fragment Based Methods
      • Overview of Established Fragment Based Methods
      • Timeline of Fragmentation Methods
      • Divide and Conquer Local Correlation (DCLC)
      • Energy-Corrected MFCC
      • Electorstatically-Embedded Many-Body Expansion (EE-MB)
      • Electrostatic Field Adapted MFCC (EFA-MFCC)
      • Fragment Energy Assembler (FEA)
      • Fragment Molecular Orbital Method
      • Generalized Energy Based Fragmentation (GEBF)
      • Kernel Energy Method (KEM)
      • Molecular Tailoring Approach (MTA)
      • Molecular Fractionation with Conjugate Caps (MFCC)
      • Systematic Molecular Fragmentation
    • Algorithms for Fragment-Based Methods
    • Difference between fragments and n-mers?
    • Terminology Used Throughout GhostFragment
  • Developer Documentation
  • References
  • Modules API
  • C++ API
GhostFragment
  • Theoretical Background
  • Established Fragment Based Methods
  • Edit on GitHub

Established Fragment Based Methods

As a disclaimer, these sections are unlikely to be exahustive; particularly for the more popular methods.

Contents:

  • Overview of Established Fragment Based Methods
  • Timeline of Fragmentation Methods
    • 1994
    • 1999
    • 2003
    • 2004
    • 2005
    • 2006
    • 2007
  • Divide and Conquer Local Correlation (DCLC)
  • Energy-Corrected MFCC
  • Electorstatically-Embedded Many-Body Expansion (EE-MB)
    • Summary
    • Other EE-MB Results
    • EE-MB Reviews
  • Electrostatic Field Adapted MFCC (EFA-MFCC)
  • Fragment Energy Assembler (FEA)
  • Fragment Molecular Orbital Method
    • Origins
    • Summary
    • Other FMO Development
  • Generalized Energy Based Fragmentation (GEBF)
    • GEBF Summary
    • Other GEBF Results
    • GEBF Reviews
  • Kernel Energy Method (KEM)
  • Molecular Tailoring Approach (MTA)
    • MTA Method Development
    • MTA Summary
    • Other MTA Results
    • MTA Reviews
  • Molecular Fractionation with Conjugate Caps (MFCC)
    • Other MFCC Results
  • Systematic Molecular Fragmentation
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© Copyright 2020, Ryan M Richard.

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