Nuclear tunneling effects of charge transport in rubrene, tetracene, and pentacene G Nan, X Yang, L Wang, Z Shuai, Y Zhao Physical Review B 79 (11), 115203, 2009 | 319 | 2009 |

Quantum instanton approximation for thermal rate constants of chemical reactions WH Miller, Y Zhao, M Ceotto, S Yang The Journal of chemical physics 119 (3), 1329-1342, 2003 | 207 | 2003 |

Charge transfer in organic molecules for solar cells: theoretical perspective Y Zhao, WZ Liang Chemical Society Reviews 41 (3), 1075-1087, 2012 | 180 | 2012 |

Path integral calculation of thermal rate constants within the quantum instanton approximation: Application to the H+ CH4→ H2+ CH3 hydrogen abstraction reaction in full … Y Zhao, T Yamamoto, WH Miller The Journal of chemical physics 120 (7), 3100-3107, 2004 | 118 | 2004 |

Charge transfer rates in organic semiconductors beyond first-order perturbation: From weak to strong coupling regimes G Nan, L Wang, X Yang, Z Shuai, Y Zhao The Journal of chemical physics 130 (2), 024704, 2009 | 113 | 2009 |

Quantum cryptography HK Lo, Y Zhao Encyclopedia of Complexity and Systems Science, 7265-7289, 2009 | 93 | 2009 |

Real-time propagation of the reduced one-electron density matrix in atom-centered Gaussian orbitals: application to absorption spectra of silicon clusters J Sun, J Song, Y Zhao, WZ Liang The Journal of chemical physics 127 (23), 234107, 2007 | 87 | 2007 |

Vibronic spectra of perylene bisimide oligomers: Effects of intermolecular charge-transfer excitation and conformational flexibility F Gao, Y Zhao, WZ Liang The Journal of Physical Chemistry B 115 (12), 2699-2708, 2011 | 73 | 2011 |

Experimental quantum key distribution with active phase randomization Y Zhao, B Qi, HK Lo Applied physics letters 90 (4), 044106, 2007 | 73 | 2007 |

Theoretical Prediction of the Rate Constants for Exciton-Dissociation and Charge-Recombination to a Triplet State in PCPDTBT With Different Fullerene Derivatives C Leng, H Qin, YB Si, Y Zhao The Journal of Physical Chemistry C, 2014 | 72 | 2014 |

A real time dynamical calculation of H< sub> 2</sub>< sup>−</sup> photodissociation H Zhang, KL Han, Y Zhao, GZ He, NQ Lou Chemical physics letters 271 (4), 204-208, 1997 | 71 | 1997 |

Non-Markovian stochastic Schrödinger equation at finite temperatures for charge carrier dynamics in organic crystals X Zhong, Y Zhao The Journal of chemical physics 138 (1), 014111, 2013 | 66 | 2013 |

Real-time propagation of the reduced one-electron density matrix in atom-centered orbitals: Application to electron injection dynamics in dye-sensitized TiO2 clusters Z Guo, WZ Liang, Y Zhao, GH Chen The Journal of Physical Chemistry C 112 (42), 16655-16662, 2008 | 62 | 2008 |

Evaluation of canonical and microcanonical nonadiabatic reaction rate constants by using the Zhu–Nakamura formulas Y Zhao, G Mil’nikov, H Nakamura The Journal of chemical physics 121 (18), 8854-8860, 2004 | 55 | 2004 |

Quantum instanton calculation of rate constant for CH4+ OH→ CH3+ H2O reaction: Torsional anharmonicity and kinetic isotope effect W Wang, Y Zhao The Journal of chemical physics 137 (21), 214306, 2012 | 46 | 2012 |

Ab initio calculations on the intramolecular electron transfer rates of a bis (hydrazine) radical cation W Zhang, W Zhu, WZ Liang, Y Zhao, SF Nelsen The Journal of Physical Chemistry B 112 (35), 11079-11086, 2008 | 45 | 2008 |

Electronic excitation of polyfluorenes: A theoretical study WZ Liang, Y Zhao, J Sun, J Song, S Hu, J Yang The Journal of Physical Chemistry B 110 (20), 9908-9915, 2006 | 44 | 2006 |

Charge carrier dynamics in phonon-induced fluctuation systems from time-dependent wavepacket diffusion approach X Zhong, Y Zhao The Journal of chemical physics 135 (13), 134110, 2011 | 43 | 2011 |

Non-Condon effect on charge transport in dithiophene-tetrathiafulvalene crystal WW Zhang, WZ Liang, Y Zhao The Journal of chemical physics 133 (2), 024501, 2010 | 41 | 2010 |

Semiclassical treatment of thermally activated electron transfer in the intermediate to strong electronic coupling regime under the fast dielectric relaxation Y Zhao, W Liang, H Nakamura The Journal of Physical Chemistry A 110 (26), 8204-8212, 2006 | 41 | 2006 |