CHEM 4240 - Physical Organic Chemistry 3 s.h.

This course will focus on computational approaches to the study of molecular properties and structure. Topics will include molecular mechanics, molecular dynamics, solvation, and both ab initio (e.g., Hartree-Fock, Density Functional) and semiempirical electronic structure methods. Applications to small organic as well as macromolecular systems (biochemical, nanostructures) will be examined. Hands-on the UNIX/LINUX operating system, molecular graphics, and chemical databases. Pass/Fail Option.
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Prerequisite(s): CHEM 3222 and CHEM 3510 .