Ch 120 ab - Nature of the Chemical Bond

Modern ideas of chemical bonding, with an emphasis on concepts useful for predictions of structures, energetics, excited states, and properties. Part a: The quantum mechanical basis for understanding bonding, structures, energetics, dynamics, and properties of materials (polymers, ceramics, metals alloys, semiconductors, and surfaces), including transition metal and organometallic systems with a focus on chemical reactivity. The emphasis is on explaining and predicting chemical, mechanical, electrical, and thermal properties of materials in terms of atomistic concepts.; Part b: The student does an individual research project using modern quantum chemistry and molecular dynamics computer programs to calculate wavefunctions, structures, and properties of real molecules. The final is a draft for a publication.