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EPLF

From eplf

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EPLF of the C-C-H radical in the molecular plane.

The Electron Pair Localization Function is a function defined in the three-dimensional space. It measures the degree of pairing of electrons in a molecule, with an increasing value as the electron pairing increases. Therefore chemical bonds, core domains and lone pairs can be visualized.



If you use EPLF, please cite these papers.

Download

 git://eplf.git.sourceforge.net/gitroot/eplf/eplf
  • The manual is available here

Support

The best way to get help is to visit the EPLF Help Forum. Anybody can create an new topic or post a message to request for help.

Contributors

This program was developed by the Laboratoire de Chimie et Physique Quantiques (CNRS-IRSAMC, Université de Toulouse) and the Laboratoire de Chimie Théorique (Université Paris 6).

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