MAgnetic Susceptibility AnaLysis (MASAL)

Minimum Magnetizability and Minimum Polarizability Principles are the electronic structure principles explaining the relation with chemical reactivity of magnetic properties and polarizability. MAgnetic Susceptibility AnaLysis (MASAL) software is presented within the framework of “Property Prediction from Structural Differences” method introduced by Savaş Kaya.This software including the use of the functional group contributions to predict the molar diamagnetic susceptibilities and polarizabilities of organic chemical systems provides very close results to experimental values for both simple and complex structures, allowing us to reach reliable results after a short computational process. The developed software can be easily applied to molecules with unknown molar diamagnetic susceptibility and polarizability values and newly synthesized organic molecules.

The program package is freely available as a Web interface. Later executable files for Windows and Linux will be added for free downloading. After all articles on the “Property Prediction from Structural Differences” Method are published, new functions will be added to the software and the current and new forms of the software will be shared on this website.

Our greatest wish is that this software will provide scientific benefits to relevant researchers.

Please upload full 3D *.sdf file of the molecule (can be downloaded from Pubchem: https://pubchem.ncbi.nlm.nih.gov)