Reaction force analysis (RFA) is a well-established method for analyzing chemical reaction mechanisms. It provides a natural partitioning of the intrinsic reaction coordinate into three regions: (1) reactant region, (2) transition-state region, and (3) product region. Recent efforts have focused on decomposing the total reaction force by characterizing contributions from geometric strain of the reactants and noncovalent intermolecular interactions. Here I will present recent progress from my research group on the development and application of a symmetry-adapted perturbation theory (SAPT) based approach to RFA. Results will be shown that highlight the utility of this method for bimolecular organic reactions, proton transfer reactions, and unimolecular rearrangements.<br/><br/>My research group is entirely composed of undergraduate students, who are involved in running computations as well as developing software. I will present on the specific involvement of undergraduate students and my approach to make computational chemistry research accesible, beneficial, and fun for them.

On the importance of noncovalent interactions in chemical reaction mechanisms: Joint approach using symmetry-adapted perturbation theory and reaction force analysis

Macromolecular Chemistry: The Second Century

[Author Benefits](https://scimeetings.acs.org/?utm_source=pubs_content_marketing&utm_medium=website&utm_campaign=0320_MCF_NPI_Launch_Spring_Homepage&ref=pubs_content_marketing)

[How to use SciMeetings](https://storage.googleapis.com/dl.morressier.com/acs/SciMeetings-ACSSpring2020-HowToGuide_M3020-Final.pdf)

[Frequently Asked Questions](https://storage.googleapis.com/dl.morressier.com/acs/SciMtng_ACSNMSp2020_FAQ_M3120_Final.pdf)

ACS Spring 2020 National Meeting & Expo

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.