Abstract:

In the course of frontier orbital theory, the teacher and students discussed the conditions for the nitric oxide formation reaction, by using this theory. In an extracurricular practice, students testified the reaction mechanism obtained from the course by molecular orbital calculations. The course practice improved students' understanding of these theories and their abilities to apply them to exploration of chemical problems.

Key words: Nitric oxide formation reaction, Frontier orbital theory, Molecular orbital theory, Quantum chemistry software