Evaluate the energy for the two MOs generated by combining two H1s AOs. Carry out the calculation
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Evaluate the energy for the two MOs generated by combining two H1s AOs. Carry out the calculation for S12 = 0.15, 0.30, and 0.45 to mimic the effect of decreasing the atomic separation in the molecule. Use the parameters H11 = H22 = –13.6 eV and H12 = −1.75S12 √H11H22. Explain the trend that you observe in the results.
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The increase in the overlap mimics a decrease in the bond length As ...View the full answer
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