Browsing by Subject "AM1 molecular orbital calculations"
Now showing items 1-2 of 2
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(Marcel Dekker Inc., 1997)Para-benzylideneacetones present a characteristic long distance charge transfer pattern, where the olefinic bridge (CH=CH) and the aromatic ring (Ph) carbon centers are perturbed according to the nature of the para-substituent ...
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(Marcel Dekker Inc., 2000)By means of 13C-NMR spectroscopy and AM1 molecular orbital calculations of mono-, bi- and tri-methoxy-β-nitrostyrenes at the meta and para positions, we have characterized a long distance electronic charge transfer pattern ...