Aromaticity as a quantitative concept part V: A comparison of semi-empirical methods for the calculation of molecular geometries of heteroaromatic compounds and …
AR Katritzky, M Szafran, E Anders, N Malhotra… - Tetrahedron Computer …, 1990 - Elsevier
Abstract The MINDO/3, MNDO, and AM1 geometries for five and six membered
heteroaromatics have been compared with available experimental data and with some ab …
heteroaromatics have been compared with available experimental data and with some ab …