A semiempirical SCF–LCAO–MO treatment of some oxygen- and nitrogen-containing heterocyclic molecules

Heats of atomization of some conjugated

Heats of atomization of some conjugated molecules containing nitrogen or oxygen by a novel semiempirical method

✍ Tomislav P. Živković 📂 Article 📅 1983 🏛 John Wiley and Sons 🌐 English ⚖ 384 KB

## Abstract Heats of atomization for a range of conjugated molecules containing nitrogen or oxygen are calculated by a semiempirical method that combines some features of both the MO and VB theories. The π ground state of each conjugated molecule is represented as a linear combination of Kekulé str