[ASAP] A Computational Experiment Introducing Undergraduates to Geometry Optimizations, Vibrational Frequencies, and Potential Energy Surfaces

Journal of Chemical EducationDOI: 10.1021/acs.jchemed.2c01129

Source: Journal of Chemical Education - February 2, 2023 Category: Chemistry Authors: Matthew D. Hanson, Daniel P. Miller, Cholavardhan Kondeti, Adam Brown, Eva Zurek, and Scott Simpson Source Type: research