Tutorial on using the GUI to set up and analyze a ReaxFF calculation: [ Ссылка ].
In this example, the combustion of methane in oxygen is modeled. To get a free trial for the ADF computational package, including ReaxFF: [ Ссылка ]
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Tutorial on using the GUI to set up and analyze a ReaxFF calculation: [ Ссылка ].
In this example, the combustion of methane in oxygen is modeled. To get a free trial for the ADF computational package, including ReaxFF: [ Ссылка ]