Abstract Applications of quantum chemistry gaussian software in the teaching of university engineering courses such as energy, environment and chemical engineering were introduced, which was also described in detail by combining with the three examples: elementary reaction of hydroxyl radical with ozone, elementary reaction of nitric oxide with hydroxyl radical and reaction pathway of hydrogen production from supercritical water gasification of formic acid. Practice showed that by using this method the engineering students could afford insight into the intrinsic laws of chemical reaction and the nature of problem on the micro-level, which can deepen the students' understanding of “micro-chemical knowledge” and stimulate the enthusiasm of the students to explore the deep-level “micro-chemical knowledge”, thus to achieve perfect teaching effect.
LIU Yang-Xian. Quantum Chemistry Gaussian Software Assisting Teaching of University Engineering Courses: Energy, Environment and Chemical Engineering as Examples[J]. Chinese Journal of Chemical Education, 2017, 38(10): 69-72.
