The optimal distance for the van Der Waals interaction between two carbonyl oxygen atoms is r 0
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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 -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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