| Advances in molecular quantum chemistry contained in the Q-Chem 4 program package Y Shao, Z Gan, E Epifanovsky, ATB Gilbert, M Wormit, J Kussmann, ... Molecular Physics 113 (2), 184-215, 2015 | 3204 | 2015 |
| 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 | 841 | 2021 |
| Charge transport properties of tris (8-hydroxyquinolinato) aluminum (III): Why it is an electron transporter BC Lin, CP Cheng, ZQ You, CP Hsu Journal of the American Chemical Society 127 (1), 66-67, 2005 | 394 | 2005 |
| vConTACT: an iVirus tool to classify double-stranded DNA viruses that infect Archaea and Bacteria B Bolduc, HB Jang, G Doulcier, ZQ You, S Roux, MB Sullivan PeerJ 5, e3243, 2017 | 260 | 2017 |
| Characterization of the short-range couplings in excitation energy transfer CP Hsu, ZQ You, HC Chen The Journal of Physical Chemistry C 112 (4), 1204-1212, 2008 | 224 | 2008 |
| Triplet-triplet energy-transfer coupling: Theory and calculation ZQ You, CP Hsu, GR Fleming The Journal of chemical physics 124 (4), 2006 | 171 | 2006 |
| Theory and calculation for the electronic coupling in excitation energy transfer ZQ You, CP Hsu International Journal of Quantum Chemistry 114 (2), 102-115, 2014 | 148 | 2014 |
| Experimental Benchmark Data and Systematic Evaluation of Two a Posteriori, Polarizable-Continuum Corrections for Vertical Excitation Energies in Solution JM Mewes, ZQ You, M Wormit, T Kriesche, JM Herbert, A Dreuw The Journal of Physical Chemistry A 119 (21), 5446-5464, 2015 | 146 | 2015 |
| Ab initio implementation of the Frenkel–Davydov exciton model: a naturally parallelizable approach to computing collective excitations in crystals and aggregates AF Morrison, ZQ You, JM Herbert Journal of Chemical Theory and Computation 10 (12), 5366-5376, 2014 | 96 | 2014 |
| The fragment spin difference scheme for triplet-triplet energy transfer coupling ZQ You, CP Hsu The Journal of chemical physics 133 (7), 2010 | 87 | 2010 |
| The hydrated electron at the surface of neat liquid water appears to be indistinguishable from the bulk species MP Coons, ZQ You, JM Herbert Journal of the American Chemical Society 138 (34), 10879-10886, 2016 | 66 | 2016 |
| Comparison of the Marcus and Pekar partitions in the context of non-equilibrium, polarizable-continuum solvation models ZQ You, JM Mewes, A Dreuw, JM Herbert The Journal of Chemical Physics 143 (20), 2015 | 66 | 2015 |
| The mediated excitation energy transfer: Effects of bridge polarizability HC Chen, ZQ You, CP Hsu The Journal of chemical physics 129 (8), 2008 | 58 | 2008 |
| Calculating electron transfer couplings by the Spin-Flip approach: energy splitting and dynamical correlation effects ZQ You, Y Shao, CP Hsu Chemical physics letters 390 (1-3), 116-123, 2004 | 55 | 2004 |
| vCon-TACT: an iVirus tool to classify double-stranded DNA viruses that infect Archaea and Bacteria. PeerJ 5: e3243 B Bolduc, HB Jang, G Doulcier, ZQ You, S Roux, MB Sullivan | 50 | 2017 |
| Q-Chem, version 3.0. Q-chem Y Shao, L Fusti-Molnar, Y Jung, J Kussmann, C Ochsenfeld, ST Brown, ... Inc.: Pittsburgh, PA, 2007 | 49 | 2007 |
| Ab inito study on triplet excitation energy transfer in photosynthetic light-harvesting complexes ZQ You, CP Hsu The Journal of Physical Chemistry A 115 (16), 4092-4100, 2011 | 39 | 2011 |
| Calculating electron-transfer coupling with density functional theory: The long-range-corrected density functionals ZQ You, YC Hung, CP Hsu The Journal of Physical Chemistry B 119 (24), 7480-7490, 2015 | 35 | 2015 |
| A structural model for a self-assembled nanotube provides insight into its exciton dynamics M Gao, S Paul, CD Schwieters, ZQ You, H Shao, JM Herbert, ... The Journal of Physical Chemistry C 119 (24), 13948-13956, 2015 | 30 | 2015 |
| Theoretical characterization of photoinduced electron transfer in rigidly linked donor–acceptor molecules: the fragment charge difference and the generalized Mulliken–Hush schemes SJ Lee, HC Chen, ZQ You, KL Liu, TJ Chow, IC Chen, CP Hsu Molecular Physics 108 (19-20), 2775-2789, 2010 | 27 | 2010 |