Robert S. Paton

GoodVibes: automated thermochemistry for heterogeneous computational chemistry data

Guilian Luchini, Juan V. Alegre‐Requena, Ignacio Funes‐Ardoiz et al. · F1000Research · 2020 · 469 citations · Full text

Engineering, Chemical Analysis, Computational Chemistry +17

Computational Study of Bond Dissociation Enthalpies for a Large Range of Native and Modified Lignins

Seonah Kim, Stephen C. Chmely, Mark R. Nimlos et al. · The Journal of Physical Chemistry Letters · 2011 · 418 citations

Engineering, Common Lignin Bonds, Organic Chemistry +18

A Mechanistic Investigation of Acid-Catalyzed Cleavage of Aryl-Ether Linkages: Implications for Lignin Depolymerization in Acidic Environments

M.R. Sturgeon, Seonah Kim, Kelsey Lawrence et al. · ACS Sustainable Chemistry & Engineering · 2013 · 393 citations · Full text

Bioorganic Chemistry, Engineering, Organic Chemistry +18

Prediction of organic homolytic bond dissociation enthalpies at near chemical accuracy with sub-second computational cost

Peter C. St. John, Yanfei Guan, Yeonjoon Kim et al. · Nature Communications · 2020 · 323 citations · Full text

Cation–π interactions in protein–ligand binding: theory and data-mining reveal different roles for lysine and arginine

Kiran Kumar, Shin M. Woo, T.K. Siu et al. · Chemical Science · 2018 · 260 citations · Full text