Draw a molecule and geometry structure optimization with Gaussview
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Draw a molecule and geometry structure optimization with Gaussview
This video show how draw a simple molecule (i.e., phthalic acid) using Gaussview software. Also, the molecule was submited to Gaussian 09W for optimization with a Semi-empirical method (PM6) to present a more accurate geometry. Semi-empirical method PM6 was used just for time saving, more accurate optimizations such as DFT using B3LYP methods ...
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