Repeat Prob. 15.47 for C2H4, Also state whether each MO is s or p. In Problem 15.47 Use a program…

Repeat Prob. 15.47 for C2H4, Also state whether each MO is σ or π.

In Problem 15.47

Use a program that can display molecular orbitals, Use the HF/6-31G* method to display each of the occupied MOs and the lowest unoccupied MO (LUMO) of H2O. Describe each occupied MO as predominantly inner-shell, bonding, or lone pair. For each lobe (region) of each MO, state which atoms are involved and whether the lobe is positive or negative. Give the HF/6-31G* orbital energy and the symmetry species of each of these MOs. (If you are using the online WebMO Demo, after you get the optimized-geometry model using Gaussian, click on New Job Using This Geometry, click the right arrow, choose Gaussian, click the right arrow, then choose Molecular Orbitals as the Calculation. When you get the output model, scroll down to see the list of MOs and click the magnifying glass for the MO you want to view. You can right-click on an MO surface and choose Opacity to change the type of display.

 

Do you need a similar assignment done for you from scratch? We have qualified writers to help you. We assure you an A+ quality paper that is free from plagiarism. Order now for an Amazing Discount!
Use Discount Code “Newclient” for a 15% Discount!

NB: We do not resell papers. Upon ordering, we do an original paper exclusively for you.

The post Repeat Prob. 15.47 for C2H4, Also state whether each MO is s or p. In Problem 15.47 Use a program… appeared first on Affordable Nursing Writers.