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Ch 121 ab: Atomic-Level Simulations of Materials and Molecules
1.00 - 9.00 Credits
California Institute of Technology
Atomistic-based methods for predicting the structures and properties of molecules and solids and simulating the dynamical properties. The course will highlight theoretical foundations and applications of atomistic simulations to current problems in such areas as 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); organometallics, and catalysis (heterogeneous and homogeneous). Part a covers the basic methods with hands-on applications to systems of interest using modern software. All homework and exams emphasize computer-based solutions. Part b: each student selects a research project and uses atomistic simulations to solve it. Instructor: Goddard.
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Ch 121 ab - Atomic-Level Simulations of Materials and Molecules
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Ch 122: Structure Determination by X-ray Crystallography
9.00 Credits
California Institute of Technology
Methods for solving the crystal structures of organic and inorganic molecules, peptides, nucleic acids, and proteins. Topics include symmetry, space groups, diffraction by crystals, the direct and reciprocal lattice, powder diffraction, Patterson and direct methods for phase determination, isomorphous replacement phasing for macromolecules, and structure refinement. Not offered 2012–13.
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Ch 122 - Structure Determination by X-ray Crystallography
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Ch 125 abc: The Elements of Quantum Chemistry
9.00 Credits
California Institute of Technology
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. Instructors: McKoy (a), Weitekamp (b). Part c not offered 2012–13.
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Ch 125 abc - The Elements of Quantum Chemistry
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Ch 126: Molecular Spectra and Molecular Structure
9.00 Credits
California Institute of Technology
Quantum mechanical foundations of the spectroscopy of molecules. Topics include quantum theory of angular momentum, rovibrational Hamiltonian for polyatomic molecules, molecular symmetry and permutation-inversion groups, electronic spectroscopy, interaction of radiation and matter. Not offered 2012–13.
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Ch 126 - Molecular Spectra and Molecular Structure
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Ch 127: Nuclear Chemistry
9.00 Credits
California Institute of Technology
A survey course in the properties of nuclei, and in atomic phenomena associated with nuclear-particle detection. Topics include rates of production and decay of radioactive nuclei; interaction of radiation with matter; nuclear masses, shapes, spins, and moments; modes of radioactive decay; nuclear fission and energy generation. Given in alternate years; not offered 2012–13.
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Ch 127 - Nuclear Chemistry
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Ch 128: Cosmochemistry
9.00 Credits
California Institute of Technology
Examination of the chemistry of the interstellar medium, of protostellar nebulae, and of primitive solar-system objects with a view toward establishing the relationship of the chemical evolution of atoms in the interstellar radiation field to complex molecules and aggregates in the early solar system. Emphasis will be placed on identifying the physical conditions in various objects, timescales for physical and chemical change, chemical processes leading to change, observational constraints, and various models that attempt to describe the chemical state and history of cosmological objects in general and the early solar system in particular. Not offered 2012–13.
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Ch 128 - Cosmochemistry
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Ch 132: Biophysics of Macromolecules
9.00 Credits
California Institute of Technology
Structural and functional aspects of nucleic acids and proteins, including hybridization; electrophoretic behavior of nucleic acids; principles and energetics of folding of polypeptide chains in proteins; allostery and cooperativity in protein action; enzyme kinetics and mechanisms; and methods of structure determination, such as X-ray diffraction and magnetic resonance. Structure and function of metalloenzymes. Instructors: Beauchamp, Cai.
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Ch 132 - Biophysics of Macromolecules
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Ch 135 ab: Chemical Dynamics
9.00 Credits
California Institute of Technology
Part a: introduction to the dynamics of chemical reactions. Topics include scattering cross sections, rate constants, intermolecular potentials, reactive scattering, nonadiabatic processes, statistical theories of unimolecular reactions, and the application of laser and molecular beam techniques to the study of reaction mechanisms. Part b: the quantum description of chemical reactions. The scattering matrix. The calculation of reaction cross sections, probabilities, and rate constants. Collision lifetimes and resonances. Classical trajectories. The two terms can be taken independently. Instructor: Marcus, Okumura. Part b not offered 2012–13.
Prerequisite:
Ch 21 abc and Ch 41 abc, or equivalent, or instructor’s permission.
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Ch 135 ab - Chemical Dynamics
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Ch 14: Chemical Equilibrium and Analysis
6.00 Credits
California Institute of Technology
A systematic treatment of ionic equilibria in solution. Topics covered include acid-base equilibria in aqueous and nonaqueous solutions, complex ion formation, chelation, oxidation-reduction reactions, and some aspects of reaction mechanisms. Instructors: Richards, Shahgholi.
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Ch 14 - Chemical Equilibrium and Analysis
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Ch 140 ab: Principles and Applications of Semiconductor Photoelectrochemistry
9.00 Credits
California Institute of Technology
The properties and photoelectrochemistry of semiconductors and semiconductor/liquid junction solar cells will be discussed. Topics include optical and electronic properties of semiconductors; electronic properties of semiconductor junctions with metals, liquids, and other semiconductors, in the dark and under illumination, with emphasis on semiconductor/liquid junctions in aqueous and nonaqueous media. Problems currently facing semiconductor/liquid junctions and practical applications of these systems will be highlighted. Instructor: Lewis.
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Ch 140 ab - Principles and Applications of Semiconductor Photoelectrochemistry
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