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The Journal of Chemical Physics|November 14, 2012
Exact two-component relativistic theory for NMR parameters: general formulation and pilot applicationQiming Sun, Yunlong Xiao, Wenjian LiuThe Journal of Chemical Physics|September 4, 2009
Exact two-component relativistic theory for nuclear magnetic resonance parametersQiming Sun, Wenjian Liu, Yunlong Xiao, et al.The Journal of Chemical Physics|July 26, 2013
Body-fixed relativistic molecular Hamiltonian and its application to nuclear spin-rotation tensor: linear moleculesYunlong Xiao, Wenjian LiuThe Journal of Chemical Physics|April 12, 2013
Body-fixed relativistic molecular Hamiltonian and its application to nuclear spin-rotation tensorYunlong Xiao, Wenjian LiuChemical Society Reviews|May 30, 2018
Relativistic time-dependent density functional theoriesWenjian Liu, Yunlong XiaoJournal of Chemical Theory and Computation|November 19, 2015
New Experimental NMR Shielding Scales Mapped Relativistically from NSR: Theory and ApplicationYunlong Xiao, Yong Zhang, Wenjian LiuThe Journal of Chemical Physics|August 10, 2014
On the spin separation of algebraic two-component relativistic Hamiltonians: molecular propertiesZhendong Li, Yunlong Xiao, Wenjian LiuThe Journal of Chemical Physics|October 23, 2012
On the spin separation of algebraic two-component relativistic HamiltoniansZhendong Li, Yunlong Xiao, Wenjian LiuThe Journal of Chemical Physics|April 17, 2009
Four-component relativistic theory for NMR parameters: unified formulation and numerical assessment of different approachesLan Cheng, Yunlong Xiao, Wenjian LiuJournal of Physics. Condensed Matter : an Institute of Physics Journal|March 14, 2022
SOiCI and iCISO: combining iterative configuration interaction with spin-orbit coupling in two waysNing Zhang, Yunlong Xiao, Wenjian LiuPageof 39