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Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates

Paper Publications

[81] Z. Li, Y. Xiao, and W. Liu*, On the spin separation of algebraic two-component relativistic Hamiltonians: Molecular Properties, J. Chem. Phys 2014, 141, 054111.
[82] S. Yao, K. Mudiyanselage, W. Xu, A. C. Johnston-Peck, J. C. Hanson, T. Wu, D. Stacchiola, J. A. Rodriguez, H. Zhao, K. A. Beyer, K. W. Chapman, P. J. Chupas, A. Martínez-Arias, R. Si, T. B. Bolin, W. Liu, and S. D. Senanayake*, Unraveling the dynamic nature of a CuO/CeO2 catalyst for CO oxidation in operando: A combined stu..., ACS Catal. 2014, 4, 1650-1661.
[83] Y. Xiao, Y. Zhang, and W. Liu*, New experimental NMR shielding scales mapped relativistically from NSR: Theory and application, J. Chem. Theory Comput. 2014, 10, 600-608.
[84] S. Wang, J. Liu, L. Yuan, Z. Cui, J. Peng, J. Li, M. Zhai*, and W. Liu*, Towards understanding the color change of 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl..., Phys. Chem. Chem. Phys2105 2014, 16, 18729-18735.
[85] P. K. Tamukong, M. R. Hoffmann*, Z. Li, and W. Liu*, Relativistic GVVPT2 Multireference Perturbation Theory Description of the Electronic States of Y2..., J. Phys. Chem. 2014, 118, 1489-1501.
[86] W. Liu*, Perspective: Relativistic Hamiltonians, Int. J. Quantum Chem. 2013, 114, 983-986.
[87] W. Liu* and I. Lindgren, Going beyond `no-pair relativistic quantum chemistry', J. Chem. Phys. 2013, 139, 014108.
[88] W. Liu* and J. Ma, Theoretical study of low-lying excited states of molecular aggregates. I. Development of linear-s..., Sci. China Chem. 2013, 56, 1263-1266.
[89] Y. Xiao and W. Liu*, Body-fixed relativistic molecular Hamiltonian and its application to nuclear spin-rotation tensor..., J. Chem. Phys. 2013, 139, 034113.
[90] Y. Xiao and W. Liu*, Body-fixed relativistic molecular Hamiltonian and its application to nuclear spin-rotation tensor, J. Chem. Phys. 2013, 138, 134104.

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