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Please answer very clearly and detailed ( final year of chemistry major ) THANK YOU !! Q2 (c) [35 Marks] The total energy or potential
Please answer very clearly and detailed ( final year of chemistry major ) THANK YOU !!
Q2 (c) [35 Marks] The total energy or potential energy expression for molecular mechanic (force field) is: Estretch + Ebend + Etorsion + Eelectostatic + Edispersion Epot = Consider one molecule of methane: (i) How many terms would be present in the total energy equation for one molecule of methane? (ii) Write down the bending energy expression (including all the individual terms that contribute to the bending energy for one molecule of methane). (iii) How many parameters are in the total energy expression in this case? Explain the meaning of the different parameters. Now consider a molecule of nitrogen dioxide and answer the same questions: (iv) How many terms would be present in the total energy equation for one molecule of nitrogen dioxide? (v) Write down the bending energy expression for one nitrogen dioxide molecule. (vi) How many parameters are in the total energy expression in this case? Finally, consider one molecule of methane and one molecule of nitrogen dioxide together: (vii) How many non-bonding term will the total energy have in this case? (viii) Identify all the Lennard-Jones parameter for this example. Explain the meaning of and o parameters in the Lennard-Jones potential energy
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