| Software for the frontiers of quantum chemistry: An overview of developments in the Q-Chem 5 package E Epifanovsky, ATB Gilbert, X Feng, J Lee, Y Mao, N Mardirossian, ... The Journal of chemical physics 155 (8), 2021 | 643 | 2021 |
| A theoretical study on C− COOH homolytic bond dissociation enthalpies J Shi, XY Huang, JP Wang, R Li The Journal of Physical Chemistry A 114 (21), 6263-6272, 2010 | 48 | 2010 |
| Challenges for variational reduced-density-matrix theory with three-particle N-representability conditions RR Li, M Liebenthal, E DePrince The Journal of Chemical Physics 155, 174110, 2021 | 15 | 2021 |
| Design and synthesis of Kekulè and non-Kekulè diradicaloids via the radical periannulation strategy: The power of seven Clar’s sextets F Kuriakose, M Commodore, C Hu, CJ Fabiano, D Sen, RR Li, S Bisht, ... Journal of the American Chemical Society 144 (51), 23448-23464, 2022 | 12 | 2022 |
| Orbital angular momentum constraints in the variational optimization of the two-electron reduced-density matrix RR Li, AE DePrince III Physical Review A 100 (3), 032509, 2019 | 10 | 2019 |
| Scanning Tunneling Microscopy and Density Functional Theory Study on Zinc (II)-Phthalocyanine Tetrasulfonic Acid on Bilayer Epitaxial Graphene on Silicon Carbide (0001) D Nicholls, RR Li, B Ware, C Pansegrau, D Çakir, MR Hoffmann, ... The Journal of Physical Chemistry C 119 (18), 9845-9850, 2015 | 6 | 2015 |
| On the development and implementation of multi-CPU parallel versions of accurate, general purpose, methods of multireference perturbation theories RR Li, MR Hoffmann Advances in Quantum Chemistry 81, 105-141, 2020 | 4 | 2020 |
| Challenges for variational reduced-density-matrix theory: Total angular momentum constraints RR Li, NC Rubin, AE DePrince III Journal of Chemical Theory and Computation 18 (10), 5966-5977, 2022 | 3 | 2022 |
| Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory GM Jones, RR Li, AE DePrince III, KD Vogiatzis The Journal of Physical Chemistry Letters 14 (28), 6377-6385, 2023 | 1 | 2023 |
| Theoretical Calculations of the 242 nm Absorption of Propargyl Radical RR Li, MR Hoffmann The Journal of Physical Chemistry A 1215 (39), 8595–8602, 2021 | 1 | 2021 |
| Theory And Application Development Of Electronic Structure Methods Involving Heavy Computation RR Li University of North Dakota, 2017 | 1 | 2017 |
| Riemannian Trust Region Method for Minimization of the Fourth Central Moment for Localized Molecular Orbitals A Sepehri, RR Li, MR Hoffmann The Journal of Physical Chemistry A 127 (34), 5231–5251, 2023 | | 2023 |
