個人經歷
教授(廈門大學,2007–至今)
訪問教授(日本分子科學研究所,2004–2005)
博士後(美國加州大學伯克利分校,2001–2003)
博士後(美國伊利諾州立大學香檳分校,2000–2001)
碩士(四川大學,1990)
研究方向
複雜體系分子量子動力學,
化學反應速率常數理論計算方法,電子轉移和非絕熱化學反應理論,超快雷射分子相互作用理論。
學術成果
Selected Publications
“Semiclassical Treatments of Electron Transfer Rate from Weak to Strong Electronic Eoupling Regime”, Y. Zhao*, and W. Z. Liang, Front. Chem. China (Feature Aricle) 2010, 5, 423-434.
“Non-Condon Effect on Charge Transport in Dithiophene-Tetrathiafulvalene Crystal”, W. W. Zhang, W. Z. Liang* and Y. Zhao*, J. Chem. Phys. 2010, 133, 024501.
“Theoretical Studies of Vibrationally Resolved Absorption and Emission Spectra: From a Single Chromophore to Multichromophoric Oligomers/Aggregates”, F. Gao, W. Z. Liang* and Y. Zhao, Sci. China Chem. 2010, 53, 297-309.
“Quantum Instanton Evaluations of Surface Diffusion, Interior Migration, and Surface-Subsurface Transport for H/Ni”, W. J. Wang and Y. Zhao*, J. Chem. Phys. 2010, 132, 064502.
“Effect of Environment on Superexchange Electron Transfer in a Multiple Bridged Donor-Acceptor System”, X. M. Chu and Y. Zhao*, J. Theor. Comput. Chem. 2009, 8, 1295-1307.
“Nature of Low-Lying Excited States in H-Aggregated Perylene Bisimide Dyes: Results of TD-LRC-DFT and the Mixed Exciton Model”, F. Pan, F. Gao, W. Z. Liang* and Y. Zhao*, J. Phys. Chem. B 2009, 113, 14581-14587.
“Electron Transfer within Charge-Localized Dinitroaromatic Radical Anions”, J. P. Telo*, S. F. Nelsen* and Y. Zhao*, J. Phys. Chem. A 2009, 27, 7730-7736.
“Theoretical Study on the Dual Fluorescence of 2-(4-cyanophenyl)-N, N-Dimethylaminoethane and its Deactivation Pathway”, X. Chen, Y. Zhao and Z. X. Cao*, J. Chem. Phys. 2009, 130, 144307.
“Path Integral Evaluation of H Diffusion on Ni (100) Surface Based on the Quantum Instanton Approximation”, W. J. Wang and Y. Zhao*, J. Chem. Phys. 2009, 130, 114708.
“Charge Transfer Rates in Organic Semiconductors beyond First-Order Perturbation: From Weak to Strong Coupling Regimes”, G. J. Nan, L. J. Wang, X. D. Yang, Z. G. Shuai* and Y. Zhao, J. Chem. Phys. 2009, 130, 024704.
“Non-Condon Nature of Fluctuating Bridges on Nonadiabatic Electron Transfer: Analytical Interpretation”, Y. Zhao* and W. Z. Liang*, J. Chem. Phys. 2009, 130, 034111.
“Nuclear Tunneling Effects of Charge Transport in Rubrene, Tetracence and Pentacene”, G. J. Nan, X. D. Yang, L. J. Wang, Z. G. Shuai* and Y. Zhao, Phys. Rev. B 2009, 79,115203.
“Effects of Anharmonicity on Diffusive-Controlled Symmetric Electron Transfer Rates: From the Weak to the Strong Electronic Coupling Regions”, W. J. Zhu and Y. Zhao*, J. Chem. Phys. 2008, 129, 184111.
“Ab initio Calculations on the Intra-Molecular Electron Transfer Rates of a Bis(hydrazine) Radical Cation”, W. W. Zhang, W. J. Zhu, W. Z. Liang, Y. Zhao* and S. F. Nelsen, J. Phys. Chem. B 2008, 112, 11079–11086.
“Density Matrix Analysis and Simulation of Electronic Dynamics in Multiple-Bridged Donor/Acceptor Molecules under Dissipative Environments”, Y. Zhao*, J. Theor. Comput. Chem. 2008, 7, 869-877.
“Real-Time Propagation of the Reduced One-Electron Density Matrix in Atom Centered Orbitals: Application to Multielectron Dynamics of Carbon Cluster Cn in the Strong Laser Pulses”, J. Sun, J. Liu, W. Z. Liang* and Y. Zhao*, J. Phys. Chem. A 2008, 112, 10442-10447.
“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. Y. Guo, W. Z. Liang*, Y. Zhao* and G. H. Chen, J. Phys. Chem. C 2008, 112, 16655-16662.
“Quantum Instanton Approximation for Chemical Reactions in Principle and Application of Theoretical Chemistry”, Y. Zhao and W. J. Wang, Chapter ten, Principle and application of theoretical chemistry, 2008.