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Chemistry, 25.09.2019 00:10 chrisk5429

My undergrad researchers are trying to approximate the binding potential energy landscape for ti and are using an lj potential. they claim to reproduce experimental data for the metallic equilibrium radii for ti with an e value of 0.4ev and a σ of 1.3˚a? did my undergrads correctly approximate the equilibrium distance between ti atoms? what is the energy at the equilibrium distance in joules? according to this potential at what distance is the force maximized? should they publish the results using this potential?

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