Collection of published molecular and surface structures from my doctoral work.
This repository contains the structure files for the work:
Designing Electrocatalytic Mediators and Understanding Site-selectivity for C(sp3)-H Activation Using First-Principles Calculations,
Mayank Tanwar, Yu Kawamata, Phil S Baran, Matthew Neurock,
https://doi.org/10.26434/chemrxiv-2024-l2jgc
This repository contains the structure files for the work:
Intentional Formation of Persistent Surface Redox Mediators by Adsorption of Polyconjugated Carbonyl Complexes to Pd Nanoparticles,
Jason S. Adams, Mayank Tanwar, Haoyu Chen, Sucharita Vijayaraghavan, Tomas Ricciardulli, Matthew Neurock, David W. Flaherty,
J. Am. Chem. Soc. 2025, https://doi.org/10.1021/jacs.4c15874
Mayank Tanwar email: tanwa008@umn.edu GitHub: tanwarmayank524
NSF Center for Synthetic Organic Electrochemistry (https://cci.utah.edu/)