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Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates

Paper Publications

[111] W. Kutzelnigg* and W. Liu*, Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation, J. Chem. Phys. 2009, 131, 044129.
[112] W. Liu* and D. Peng, Exact two-component Hamiltonians revisited, J. Chem. Phys. 2009, 131, 031104.
[113] L. Cheng, Y. Xiao, and W. Liu*, Four-component relativistic theory for NMR parameters: Unified formulation and numerical assessme..., J. Chem. Phys. 2009, 130, 144102.
[114] D. Peng, J. Ma, and W. Liu*, On the construction of Kramers paired double group symmetry functions, Int. J. Quantum Chem. 2009, 109, 2149-2167.
[115] 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.
[116] 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.
[117] W. Kutzelnigg* and W. Liu*, Matrix formulation of direct perturbation theory of relativistic effects in a kinetically balance..., Chem. Phys. 2008, 349, 133-146.
[118] 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.
[119] 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.
[120] 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.

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