CBS-QB3 calculation of quantum chemical molecular descriptors of isomeric thiadiazoles
DOI: 10.1016/J.JMGM.2006.03.001
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摘要: The results of the calculation several molecular descriptors isomeric thiadiazoles through CBS-QB3 model chemistry are presented in this work. could be useful quantitative structure–activity relationship (QSAR) or structure–property (QSPR) studies derivatives nitrogen-containing analogs thiophene.
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