Run R. Li

Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package

Evgeny Epifanovsky, Andrew T. B. Gilbert, Xintian Feng et al. · The Journal of Chemical Physics · 2021 · 1.3K citations · Full text

Natural Sciences, Chemistry, Physics +17

A Theoretical Study on C−COOH Homolytic Bond Dissociation Enthalpies

Jing Shi, Xiongyi Huang, Junpeng Wang et al. · The Journal of Physical Chemistry A · 2010 · 42 citations

Natural Sciences, Biochemistry, Chemistry +13

Design and Synthesis of Kekulè and Non-Kekulè Diradicaloids via the Radical Periannulation Strategy: The Power of Seven Clar’s Sextets

Febin Kuriakose, Michael Commodore, Chaowei Hu et al. · Journal of the American Chemical Society · 2022 · 32 citations

Natural Sciences, Chemistry, Physics +17

Challenges for variational reduced-density-matrix theory with three-particle <i>N</i>-representability conditions

Run R. Li, Marcus D. Liebenthal, A. Eugene DePrince · The Journal of Chemical Physics · 2021 · 20 citations · Full text

Natural Sciences, Chemistry, Physics +17

Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory

Grier M. Jones, Run R. Li, A. Eugene DePrince et al. · The Journal of Physical Chemistry Letters · 2023 · 10 citations · Full text

Natural Sciences, Chemistry, Physics +17