Comp Chem 02
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(4/10/20, bes)
Previous pages:
In the previous discussion you were taught how to submit a WebMO/Gaussian job and analyze results related to measuring of bond length and angles, viewing molecular orbitals, and determining the rotation barrier energy about a carbon-carbon bond. We will continue to use WebMO/Gaussian to develop chemistry insights, but first we must discuss further the nature of the calculations that were done in the previous exercises.
Review
WebMo is an excellent tool (graphical interface) to build an input file for the Gaussian engine. WebMO assisted in the construction of the input file...
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