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Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates

Paper Publications

[121] W. Xu, J. Ma, D. Peng, W. Zou, W. Liu*, and V. Staemmler, Excited states of ReO4-: A comprehensive time-dependent relativistic density functional theory st..., Chem. Phys. 2009, 356, 219-228.
[122] W. Zou* and W. Liu*, Comprehensive ab initio calculation and simulation on the low-lying excited states of TlX (X = F,..., J. Comput. Chem. 2009, 30, 524-539.
[123] W. Kutzelnigg* and W. Liu*, Matrix formulation of direct perturbation theory of relativistic effects in a kinetically balance..., Chem. Phys. 2008, 349, 133-146.
[124] J. Deng, N. Song*, W. Liu, Q. Zhou, and Z. Wang, Towards near-infrared chiroptically switching materials: Theoretical and experimental studies on ..., ChemPhysChem. 2008, 9, 1265-1269.
[125] 刘文剑*, Principles of relativistic quantum chemistry and time-dependent relativistic density functional t..., 《理论化学原理与应用》（帅志刚，邵久书等编著；科学出版社，北京） 2008, 68-109.
[126] D. Peng, W. Liu*, Y. Xiao, and L. Cheng, Making four- and two-component relativistic density functional methods fully equivalent based on ..., J. Chem. Phys. 2007, 127, 104106.
[127] 刘文剑*, New Progress in Relativistic Quantum Chemistry, 化学进展 2007, 19, 833-851.
[128] S. Lü, W. Liu*, and X. Li, Ab initio investigation on electron transfer in molecular electronic devices: A minimal model stu..., Chem. Phys. Lett. 2007, 439, 85-90.
[129] W. Liu* and W. Kutzelnigg*, Quasirelativistic theory. II. Theory at matrix level, J. Chem. Phys. 2007, 126, 114107.
[130] Y. Xiao, W. Liu*, L. Cheng, and D. Peng, Four-component relativistic theory for nuclear magnetic shielding constants: Critical assessments..., J. Chem. Phys. 2007, 126, 214101.

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