G3-B3 calculation of the molecular structure and descriptors of isomeric thiadiazoles

The results of the calculation of the molecular structure and of several molecular descriptors of isomeric thiadiazoles through the G3-B3 model chemistry are presented in this work. The results could be useful in quantitative structure-activity relationship (QSAR) or quantitative structure-property relationship (QSPR) studies of derivatives of the nitrogen-containing analogs of thiophene.