| Do diradicals behave like radicals? T Stuyver, B Chen, T Zeng, P Geerlings, F De Proft, R Hoffmann Chemical reviews 119 (21), 11291-11351, 2019 | 247 | 2019 |
| The low-lying electronic states of pentacene and their roles in singlet fission T Zeng, R Hoffmann, N Ananth Journal of the American Chemical Society 136 (15), 5755-5764, 2014 | 238 | 2014 |
| A direct mechanism of ultrafast intramolecular singlet fission in pentacene dimers EG Fuemmeler, SN Sanders, AB Pun, E Kumarasamy, T Zeng, K Miyata, ... ACS central science 2 (5), 316-324, 2016 | 210 | 2016 |
| From widely accepted concepts in coordination chemistry to inverted ligand fields R Hoffmann, S Alvarez, C Mealli, A Falceto, TJ Cahill III, T Zeng, G Manca Chemical Reviews 116 (14), 8173-8192, 2016 | 168 | 2016 |
| Electronegativity seen as the ground-state average valence electron binding energy M Rahm, T Zeng, R Hoffmann Journal of the American Chemical Society 141 (1), 342-351, 2018 | 157 | 2018 |
| Seeking small molecules for singlet fission: a heteroatom substitution strategy T Zeng, N Ananth, R Hoffmann Journal of the American Chemical Society 136 (36), 12638-12647, 2014 | 139 | 2014 |
| Direct mapping of curve-crossing dynamics in IBr by attosecond transient absorption spectroscopy Y Kobayashi, KF Chang, T Zeng, DM Neumark, SR Leone Science 365 (6448), 79-83, 2019 | 117 | 2019 |
| Theoretical studies of singlet fission: Searching for materials and exploring mechanisms A Japahuge, T Zeng ChemPlusChem 83 (4), 146-182, 2018 | 98 | 2018 |
| Microscopic molecular superfluid response: theory and simulations T Zeng, PN Roy Reports on Progress in Physics 77 (4), 046601, 2014 | 71 | 2014 |
| Design of small intramolecular singlet fission chromophores: an azaborine candidate and general small size effects T Zeng, P Goel The Journal of Physical Chemistry Letters 7 (7), 1351-1358, 2016 | 70 | 2016 |
| Diradical character as a guiding principle for the insightful design of molecular nanowires with an increasing conductance with length T Stuyver, T Zeng, Y Tsuji, P Geerlings, F De Proft Nano letters 18 (11), 7298-7304, 2018 | 59 | 2018 |
| “Adiabatic-hindered-rotor” treatment of the parahydrogen-water complex T Zeng, H Li, RJ Le Roy, PN Roy The Journal of chemical physics 135 (9), 2011 | 58 | 2011 |
| Through-linker intramolecular singlet fission: general mechanism and designing small chromophores T Zeng The Journal of Physical Chemistry Letters 7 (21), 4405-4412, 2016 | 52 | 2016 |
| Structure-function relationships of hydroxyl radical scavenging and chromium-VI reducing cysteine-tripeptides derived from rye secalin R Leung, C Venus, T Zeng, A Tsopmo Food Chemistry 254, 165-169, 2018 | 50 | 2018 |
| Thiophene Cation Intercalation to Improve Band‐Edge Integrity in Reduced‐Dimensional Perovskites C Ni, Y Huang, T Zeng, D Chen, H Chen, M Wei, A Johnston, AH Proppe, ... Angewandte Chemie 132 (33), 14081-14087, 2020 | 48 | 2020 |
| Surface Structure and Stability of MoSx Model Clusters XD Wen, T Zeng, YW Li, J Wang, H Jiao The Journal of Physical Chemistry B 109 (39), 18491-18499, 2005 | 44 | 2005 |
| Li-filled, B-substituted carbon clathrates T Zeng, R Hoffmann, R Nesper, NW Ashcroft, TA Strobel, DM Proserpio Journal of the American Chemical Society 137 (39), 12639-12652, 2015 | 43 | 2015 |
| Two-component natural spinors from two-step spin-orbit coupled wave functions T Zeng, DG Fedorov, MW Schmidt, M Klobukowski The Journal of chemical physics 134 (21), 2011 | 41 | 2011 |
| Density functional theory study of triangular molybdenum sulfide nanocluster and CO adsorption on it T Zeng, XD Wen, YW Li, H Jiao The Journal of Physical Chemistry B 109 (28), 13704-13710, 2005 | 40 | 2005 |
| Density functional theory study of CO adsorption on molybdenum sulfide T Zeng, XD Wen, GS Wu, YW Li, H Jiao The Journal of Physical Chemistry B 109 (7), 2846-2854, 2005 | 39 | 2005 |
