Geometry Optimizations. Lecture CompChem 2 Chemistry 347 Hope College. Potential Energy Surfaces. Energy. 3 N -5 Coords. Reaction Coordinate. PES Extrema (Stationary Points). Minima 1st deriv (gradient) equals zero in all directions 2nd deriv positive in all directions Global vs. local
Download Policy: Content on the Website is provided to you AS IS for your information and personal use and may not be sold / licensed / shared on other websites without getting consent from its author.While downloading, if for some reason you are not able to download a presentation, the publisher may have deleted the file from their server.
Lecture CompChem 2Chemistry 347Hope College