Predicting the degree of aromaticity of novel carbaporphyrinoids
نویسندگان
چکیده
منابع مشابه
Predicting the degree of aromaticity of novel carbaporphyrinoids.
Magnetically induced current densities have been calculated for dioxaporphyrin, dithiaporphyrin, true carbaporphyrins, and N-confused porphyrins using the gauge-including magnetically induced current (GIMIC) method. The current-strength susceptibilities (current strengths) have been obtained by numerically integrating the current flow passing selected chemical bonds. The current strength calcul...
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ژورنال
عنوان ژورنال: Physical Chemistry Chemical Physics
سال: 2015
ISSN: 1463-9076,1463-9084
DOI: 10.1039/c5cp01306b