Ch 120 ab

Nature of the Chemical Bond

9 units (3-0-6) second term; (1-1-7) third term  |  second, third terms
Prerequisites: general exposure to quantum mechanics (e.g., Ch 21 a).
Modern ideas of chemical bonding, with an emphasis on qualitative concepts useful for predictions of structures, energetics, excited states, and properties. Part a: The quantum mechanical basis for understanding bonding, structures, energetics, 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 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 computer programs to calculate wavefunctions, structures, and properties of real molecules.
Instructor: Goddard

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