Course Description
This innovative laboratory course provides hands-on experience in computational chemistry, complementing theoretical concepts from lecture. Students utilize deMon software to perform a series of experiments that explore key principles of quantum mechanics and molecular structure. The curriculum covers topics such as the vibrations of diatomic molecules, the Schrödinger equation, and the properties of atomic orbitals. A significant portion of the course is dedicated to Hückel molecular orbital theory, where students investigate the stability of conjugated systems, bond order, and charge order. The course also includes a practical application of these concepts in geometry optimization. Students collaborate in lab groups and are required to submit original, detailed lab reports, equipping them with both computational skills and proficiency in scientific writing.