Does anyone know how can I find Lennard-Jones parameter for Magnetite (Fe3O4) (with formal charge) ?

30 June 2021 1 5K Report

Is it make a difference if i use Lennard-Jones Coeff ,for example, "Fe" (iron ion) with charge +2 beside "Fe" with charge +2.5 ?

Can i use Lennard-Jones Coeff of "Oxygen" in SiO2 in "Fe3O4" structure ?

any discussion will be helpful!

Shaban Ahmad

Dear Hadi Kabir

I will suggest going with the following link.

https://www.google.com/url?sa=t&rct=j&q=&esrc=s&source=web&cd=&ved=2ahUKEwj_1YLf18DxAhXjxjgGHdyXBREQFjAAegQIAxAD&url=https%3A%2F%2Fpublikationen.bibliothek.kit.edu%2F1000065849%2F4039796&usg=AOvVaw2LfeC1Sndj57cAFtjt79BH

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