AROMATICITY OF AZA AROMATIC MOLECULES: PREDICTION FROM HUCKEL THEORY WITH MODIFIED PARAMETERS

Sutjahja, IM; Sudarso, YPD; 'Ulhaq, SD; Yutomo, EB

Sutjahja, IM (通讯作者),Inst Teknol Bandung, Fac Math & Nat Sci, Dept Phys, Bandung 40132, Indonesia.

QUIMICA NOVA, 2023; 46 (4): 319

Abstract

Huckel theory is a simple and powerful method for predicting the molecular orbital and the energy of conjugated molecules. However, the presence of ni......

Full Text Link