| source Johns Hopkins University (6) |
level Upper Level Undergraduate (X) |
department Chemistry (X) |
Not Available
Score: 9.313021 Details | Listing | Web page
Not Available
Score: 9.313021 Details | Listing | Web page
Not Available
Score: 9.313021 Details | Listing | Web page
This course introduces the student to the use of computers to address questions in chemistry. Basic notions of self consistent field and density functional theory will be introduced. Molecular wave functions (orbitals) for molecules of increasing complexity, starting from simple diatomic molecules and increasing to molecules of biological relevance, will be determined. Visualization tools will be used to understand the nature of chemical bonding and molecular interactions. Ligand field interactions will be quantified. Chemical reactions, for example SN2 reactions, will be described using rigorously computed reaction paths. Equilibrium and transition state structures will be determined and analyzed. Molecular vibrations will be computed, analyzed and visualized. Infrared spectra will be simulated. The effects of solvents will be considered. NMR chemical shifts will be studied. Prerequisite: 030.205-206
Score: 9.313021 Details | Listing | Web page
Not Available
Score: 9.313021 Details | Listing | Web page