ESI-3D

Electron Sharing Indexes Program for 3D Molecular Space Partition

 

 

Institute of Computational Chemistry (Girona), 2006-2014.

Uniwersity of Szczecin (Poland), 2009-2011.

Donostia International Physics Center (DIPC) (Donostia), 2015-.

 

Report bugs to Eduard Matito: eduard@iqc.udg.es or ematito@gmail.com

 

 

 

This an old (Feb. 2007) fool-proof version of the code, which does not contain the lastest features of the code (AV1245, AVmin, correlated calculations, etc.) for an updated version of the code please contact me through the mail above. The lastest version of the code uses a very simplified output for calculations obtained with AIMall, which significantly facilities the use of ESI-3D.

 

Useful links:

 

       Program FUZZY: http://occam.chemres.hu/programs/

       Program AIMall: http://aim.tkgristmill.com/

       Program AIMPAC: http://www.chemistry.mcmaster.ca/aimpac/

 

 

Updated 21/08/2020