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Gaussian 09 V7.0 Rev A.02.torrent karwain



 


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The minimization of the energy was performed on the DFT optimized structure while keeping all the other structure parameters fixed. The model compounds obtained by this method were subsequently optimized at the PBE/6-31G(d) level of theory.

 

 


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Gaussian 09 V7.0 Rev A.02.torrent karwain

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