Question: The optimal distance for the van Der Waals interaction between two carbonyl oxygen atoms is r 0 = 0.353nm. The energy for this interaction is

The optimal distance for the van Der Waals interaction between two carbonyl oxygen atoms is r 0 = 0.353nm. The energy for this interaction is -20.78kJ/mol.

a. Estimate the repulsive parameter A and dispersion parameter B for Lennard-Jones 6-12 potential.

b. Calculate the energy at r = 0.33 nm and at r= 0.4 nm, using the parameters in (a).

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To solve this problem we will use the LennardJones 612 potential which is expressed as Vr 4epsilon l... View full answer

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