An introduction to the quantum mechanics of molecular systems. Approximate methods for calculating the electronic structure of molecules are discussed. Particular emphasis is placed on molecular orbital methods at various ab-initio levels. Methods which include the effects of electron correlation will also be presented. Evaluation of such methods for studies of molecular geometry, conformational problems, thermochemical data, and spectroscopic parameters is presented. Other topics considered may include the electronic structure of hydrogen bonded systems and of excited states.
Elements of equilibrium statistical thermodynamics for classical and quantum mechanical systems, with applications to ideal gases, crystalline solids, imperfect gases and liquids.
A study of optical spectroscopy including selected topics from among point group theory, vibrational spectra of polyatomic molecules, electronic and vibronic spectra of molecules, and rotational spectra. May be offered on tutorial basis.
Light scattering and other characterization techniques; thermodynamic and transport properties of macromolecular solutions. Structure-property correlations in amorphous and crystalline polymers.
This course begins with a review of fundamental concepts in material science, provides an introduction to some of the more advanced concepts, especially in regard to nanomaterials and, finally, focuses on the chemistry involved both in production of modern materials and their uses. The latter topics include the chemistry of thin films, self-assembled chemical systems, surface chemistry and cluster chemistry.
Kinetics of chemical reactions in various media: reaction rate expressions, mechanisms, elementary processes. Elementary theories of rate processes: activated complex theory, elementary collision theory, unimolecular decomposition. Such topics as diffusion control of reactions, catalysis and photochemistry will be treated as time allows.
A course designed to address topical interests and knowledge areas required of students in the Integrated 4+1 AB/MS Program in Biophysical Chemistry.
This course is open to graduate, medical and advanced undergraduate students. It provides an introduction to toxicology as a discipline, with a focus on the molecular basis for toxicity of chemicals in biological systems. Major topics include: principles of cell and molecular toxicology, xenobiotic metabolism, molecular targets of cellular toxicity, genetic toxicology, chemical carcinogenesis, immunotoxicology, neurotoxicology, clinical toxicology, and quantitative risk assessment.
This course is directed towards graduate students planning to use inorganic chemical analysis in their thesis work. The lectures and seminars focus on the theory and application of modern instrumental analysis and analytical chemistry. The theoretical backgrounds for a number of inorganic instrumental analytical methods are given, and examples of their application to problems of interest for analytical chemists working in the fields of earth science, chemistry, biology and environmental science are presented. The lectures cover ion chromatography, electrochemistry, atomic absorption, inductively coupled plasma optical emission and inductively coupled plasma mass spectrometry. The theory and concepts of analytical chemistry are provided along with statistical tools, uncertainty calculations and data treatment methods useful in analytical chemistry.
A study of the structure, bonding, and chemical properties of organometallic compounds of the main group and transition elements. Applications to organic synthesis and homogeneous catalysis will be discussed, and organometallic compounds of the lanthanide and actinide elements may also be discussed.
The role of metals in homogeneous and heterogeneous catalysis, with an emphasis on mechanisms of catalytic reactions. Applications to industrial processes, organic synthesis, and asymmetric synthesis will be discussed.
The role of metal ions in biological systems. Topics include metal ion transport, storage, and interaction with proteins and nucleic acids; metalloproteins involved in oxygen trans-port and electron transfer; metalloenzymes involved in activation of oxygen and other substrates; and medicinal, toxicity, and carcinogenicity aspects of metals; as well as inorganic model chemistry of bioinorganic systems. Several physical methods are introduced, and their application to current research on the above topics is considered.
Colloquia presented to the Department of Chemistry by scientists and educators in the chemistry profession on Thursdays, and by graduate students and others conducting research in chemistry and allied fields on Wednesdays as needed. The course is required of all graduate students in chemistry in each term.
Modern theories of organic reaction mechanisms, particularly the use of physical-chemical principles to predict the effect of changing reaction variables, especially reactant structures, on reactivity. The structure, stability, and reactivity of carbanions and carbocations, as well as SN1 and SN2 reactions, are discussed.
Consideration of organic chemical reactions at an advanced level. Current knowledge concerning synthetic methods, reaction mechanisms, reactive intermediates, conformational analysis, and biosynthesis are discussed in the context of modern organic chemistry.
A survey of the application of modern synthetic methods to the total synthesis of natural products. Coverage will include retrosynthetic analysis and synthetic planning and an overview of the preparation of a wide variety of important natural products. Emphasis will be placed on student problem-solving in the context of the synthesis of complex molecules.
Treatment at an advanced level of one or more areas of organic chemistry. The subject matter may vary from offering to offering; accordingly, the course may be taken for credit more than once.
An introduction to the chemical, physical, and spectroscopic properties of heterocyclic compounds. Coverage will include reactions, synthesis, stereo-chemistry, and unusual rearrangements. Attention will also be given to natural product synthesis and to heterocycles of biological interest.
Treatment at an advanced level of one or more areas of biophysical chemistry. The subject matter varies from offering to offering; accordingly the course may be taken for credit more than once.
161.1 Membrane Biophysics. The structure and function of cell membranes, with emphasis on the complex behavior of intrinsic membrane proteins and its relation to physical properties of the lipid bilayer.
161.2 Biomolecular Simulations. An advanced treatment of modern computational approaches to the folding, structure, and dynamics of proteins and nucleic acids and their complexes. Topics include folding, searching algorithms, homology modeling, energy landscape deformation, and multi-dimensional searching.
161.3 Biomolecular NMR. The theoretical and practical aspects of the modern use of nuclear magnetic resonance in the study of biomolecules including peptides/proteins, synthetic and natural products, and nucleic acids will be developed.
161.4 Structure and Dynamics of Biomolecules.The theoretical and practical aspects for the determination of the structure and dynamics of proteins, and nucleic acids will be developed. Particular emphasis will be placed on the utilization of X-ray diffraction, cryo-electron microscopy, and high-resolution NMR and the computational approaches associated with them.
161.5 Protein Crystallography. Theoretical aspects for the determination of protein structures using X-ray crystallography. Topics will include a detailed description of crystal symmetry, diffraction theory, data collection and processing, and methods for solving the crystallographic phase problem.
A course in the methodology and practice of chemistry teaching at the undergraduate college level. Topics such as laboratory supervision and safety, grading issues, special needs students, lecturing and tutoring techniques, exam preparation, and the teacher/student relationship will be discussed through readings, class discussions, and student presentations. This course is a prerequisite to the supervised undergraduate teaching requirement for the Ph.D. degree in chemistry. Required of entering graduate students.
Teaching in chemistry undergraduate courses under the supervision of a faculty member. Normally students enrolled in this course teach alongside faculty in undergraduate instructional laboratories. This course is open only to graduate students; it may be elected for credit more than once.
These courses are available to graduate students during each term of residence, including summer. An essential element of scientific training is in the critical analysis and communication of experimental research in an oral format. Evaluation will be based on quality of the work, quality of critical analysis, and on presentation style, including effective use of audiovisual materials. All enrolled students will make oral presentations that describe work from the current literature or their own research.
An original and individual experimental or theoretical investigation beyond the undergraduate level in one of the fields of chemistry. This course is open only to graduate students; it may be elected for credit more than once. This course carries one course credit and should be elected by students conducting research and also electing two or more other graduate or undergraduate courses.
An original and individual experimental or theoretical investigation beyond the undergraduate level in one of the fields of chemistry. This course is open only to graduate students; it may be elected for credit more than once. This course carries two course credits and should be elected by students electing only departmental colloquia in addition to research.
An original and individual experimental or theoretical investigation beyond the undergraduate level in one of the fields of chemistry. This course is open only to graduate students; it may be elected for credit more than once. This course carries three course credits and should be elected by students conducting research exclusively in any one term.