| 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 | 669 | 2021 |
| Activating intramolecular singlet exciton fission by altering π-bridge flexibility in perylene diimide trimers for organic solar cells B Carlotti, IK Madu, H Kim, Z Cai, H Jiang, AK Muthike, L Yu, ... Chemical Science 11 (33), 8757-8770, 2020 | 30 | 2020 |
| Heavy atom oriented orbital angular momentum manipulation in metal-free organic phosphors W Shao, H Jiang, R Ansari, PM Zimmerman, J Kim Chemical Science 13 (3), 789-797, 2022 | 26 | 2022 |
| Metal‐Free Organic Triplet Emitters with On–Off Switchable Excited State Intramolecular Proton Transfer W Shao, J Hao, H Jiang, PM Zimmerman, J Kim Advanced Functional Materials 32 (29), 2201256, 2022 | 24 | 2022 |
| Molecular structure of the surface-immobilized super uranyl binding protein W Guo, X Zou, H Jiang, KJ Koebke, M Hoarau, R Crisci, T Lu, T Wei, ... The Journal of Physical Chemistry B 125 (28), 7706-7716, 2021 | 22 | 2021 |
| Calculation of spin–orbit couplings using RASCI spinless one-particle density matrices: Theory and applications A Carreras, H Jiang, P Pokhilko, AI Krylov, PM Zimmerman, D Casanova The Journal of Chemical Physics 153 (21), 2020 | 18 | 2020 |
| Charge transfer via spin flip configuration interaction: Benchmarks and application to singlet fission H Jiang, PM Zimmerman The Journal of Chemical Physics 153 (6), 2020 | 15 | 2020 |
| The role of the core attachment positioning in triggering intramolecular singlet exciton fission in perylene diimide tetramers AK Muthike, B Carlotti, IK Madu, H Jiang, H Kim, Q Wu, L Yu, ... The Journal of Physical Chemistry B 125 (19), 5114-5131, 2021 | 10 | 2021 |
| Investigation of Thermally Activated Delayed Fluorescence in Donor–Acceptor Organic Emitters with Time-Resolved Absorption Spectroscopy L Fisher Jr, RJ Vázquez, M Howell, AK Muthike, ME Orr, H Jiang, ... Chemistry of Materials 34 (5), 2161-2175, 2022 | 9 | 2022 |
| Impact of Ring-Fusion on the Excited State Decay Pathways of N-Annulated Perylene Diimides IK Madu, H Jiang, A Laventure, PM Zimmerman, GC Welch, T Goodson III The Journal of Physical Chemistry C 125 (19), 10500-10515, 2021 | 4 | 2021 |
| State-specific solvation for restricted active space spin–flip (RAS-SF) wave functions based on the polarizable continuum formalism B Alam, H Jiang, PM Zimmerman, JM Herbert The Journal of Chemical Physics 156 (19), 2022 | 1 | 2022 |
