About MAgnetic Susceptibility AnaLysis (MASAL) software
Minimum Magnetizability Principle is an electronic structure principle stating that “A stable configuration/conformation of a molecule or a favorable chemical process is associated with a minimum value of the magnetizability.” In the light of this explanation, it is clear that magnetic properties are closely related to the reactivity of chemical systems. 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 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 values and newly synthesized organic molecules.
The program package is available for download at no cost from here as an executable file for Windows operating system. 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.
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Developed by: Savaş Kaya, Abdulaziz Hayitov, Kulyamin Pavel, Konstantin Katin, Mikhail Maslov