Mean Field Treatment of Heterogeneous Steady State Kinetics

by Geva, Nadav, Vaissier, Valerie, Shepherd, James J, Van Voorhis, Troy
Published 2020

Morphology of Passivating Organic Ligands around a Nanocrystal

by Geva, Nadav, Shepherd, James J, Nienhaus, Lea, Bawendi, Moungi G, Van Voorhis, Troy
Published 2020

Computational Design Principles of Two-Center First-Row Transition Metal Oxide Oxygen Evolution Catalysts

by Mavros, Michael George, Shepherd, James J, Tsuchimochi, Takashi, McIsaac, Alexandra, Van Voorhis, Troy
Published 2018

Molecular-Level Insights into Oxygen Reduction Catalysis by Graphite-Conjugated Active Sites

by Ricke, Nathan Darrell, Murray, Alexander T, Shepherd, James J, Welborn, Matthew Gregory, Fukushima, Tomohiro, Van Voorhis, Troy, Surendranath, Yogesh
Published 2018

Salt Effect Accelerates Site-Selective Cysteine Bioconjugation

by Dai, Peng, Zhang, Chi, Welborn, Matthew Gregory, Shepherd, James J, Zhu, Tianyu, Van Voorhis, Troy, Pentelute, Bradley L.
Published 2018

Accurate Exchange-Correlation Energies for the Warm Dense Electron Gas

by Malone, Fionn D., Blunt, N. S, Brown, Ethan W., Lee, D. K. K, Spencer, J. S, Foulkes, W. M. C, Shepherd, James J
Published 2016

A structural and mechanistic study of π-clamp-mediated cysteine perfluoroarylation

by Dai, Peng, Williams, Jonathan Kyle, Zhang, Chi, Welborn, Matthew Gregory, Shepherd, James J, Zhu, Tianyu, Van Voorhis, Troy, Hong, Mei, Pentelute, Bradley L.
Published 2017