some chem classes

Ch 121 ab. Atomic Level Simulations of Materials and Molecules. 9 units (3-1-5); second, third terms. Prerequisites: Ma 2 ab, Ph 2 ab, Ch 1 ab, or equivalent. Recommended: Ch 41 abc, Ch 21 a. Methods for predicting the structures and properties of molecules and solids. The course will highlight theoretical foundations and applications to current problems in the following areas: biological systems (proteins, DNA, carbohydrates, lipids); polymers (crystals, amorphous systems, copolymers); semiconductors (group IV, III-V, surfaces, defects); inorganic systems (ceramics, zeolites, superconductors, and metals); and organometallics and catalysis (heterogeneous and homogeneous). Both terms will involve the use of computers for building and calculating systems of interest. Part a covers the basic methods. Part b will focus on simulations applied to problems in petroleum chemistry. Ch 120 a is recommended but not required for Ch 121 a. Instructor: Goddard.
MWF 14:00 - 14:55
115 BCK

Ch 125 abc. The Elements of Quantum Chemistry. 9 units (3-0-6); first, second, third terms. Prerequisites: Ch 21 abc or an equivalent brief introduction to quantum mechanics. A first course in molecular quantum mechanics consisting of a quantitative treatment of quantum mechanics with applications to systems of interest to chemists. The basic elements of quantum mechanics, the electronic structure of atoms and molecules, the interactions of radiation fields and matter, scattering theory, and reaction rate theory. Instructor: Kuppermann, McKoy, Weitekamp.

Ch 120 abc. Nature of the Chemical Bond. 9 units (3-0-6) first term; 6 units (2-0-4) second term; 6 units (1-1-4) third term; first, second, third terms. Prerequisites: general exposure to quantum mechanics (e.g., Ph 2 ab, Ph 12 abc, or equivalent). Modern ideas of chemical bonding, with an emphasis on qualitative concepts and how they are used to make 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). The emphasis is on explaining chemical, mechanical, electrical, and thermal properties of materials in terms of atomistic concepts. Part b: The quantum mechanical basis for understanding transition metal systems with a focus on chemical reactivity. There will be an emphasis on organometallic complexes, on homogeneous catalysis, and on heterogeneous catalysis. Part c: The student does an individual research project using modern quantum chemistry computer programs to calculate wavefunctions, structures, and properties of real molecules. Instructor: Goddard. Part b not offered 2003–04.