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个人信息Personal Information
教授 博士生导师 硕士生导师
性别：男
出生日期：1966-03-14
毕业院校：Peking University
学历：博士研究生毕业
学位：博士生
在职信息：在职
所在单位：化学与化工学院
入职时间：2018-12-25
学科：理论与计算化学
办公地点：Room 314, Building K1, Qingdao Campus, Shandong University
扫描关注
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[101]
S. Mao,, L. Cheng, W. Liu, and D. Mukherjee*,
A spin-adapted size-extensive state- specific multi-reference perturbation theory (I): Formal developments,
J. Chem. Phys.
2012,
136,
024105.
-
[102]
Y. Xiao, Q. Sun, and W. Liu*,
Fully relativistic theories and methods for NMR properties,
Theor. Chem. Acc.
2012,
131,
1080.
-
[103]
F. Wu, W. Liu*, Y. Zhang, and Z. Li,
Linear scaling time-dependent density functional theory based on the idea of "from fragments to molecule'',
J. Chem. Theory Comput.
2011,
7,
3643-3660.
-
[104]
A. Liu, Q. Sun, J. Cui, J. Zheng, W. Liu*, and X. Wan*,
Tuning Mesomorphic Properties and Handedness of Chiral Calamitic Liquid Crystals by Minimal Modification of the Effective Core,
Chirality
2011,
23,
E74-E83.
-
[105]
Q. Sun, W. Liu*, and W. Kutzelnigg*,
Comparison of restricted, unrestricted, inverse, and dual kinetic balances for four-component relativistic calculations,
Theor. Chem. Acc.
2011,
129,
423-436.
-
[106]
Z. Li, W. Liu*, Y. Zhang, and B. Suo,
Spin-adapted open-shell time-dependent density functional theory. II. Theory and pilot application,
J. Chem. Phys.
2011,
134,
134101.
-
[107]
Z. Li and W. Liu*,
Spin-adapted open-shell time-dependent density functional theory. III. An even better and simpler formulation,
J. Chem. Phys.
2011,
135,
194106.
-
[108]
F. Chen*, M. Wei, and W. Liu,
On the performance of the open-shell perturbation theory,
Sci. China Chem.
2011,
54,
446-453.
-
[109]
Z. Li and W. Liu*,
Spin-adapted open-shell random phase approximation and time-dependent density functional theory. I. Theory,
J. Chem. Phys.
2010,
133,
064106.
-
[110]
W. Liu*,
Ideas of relativistic quantum chemistry,
Mol. Phys.
2010,
108,
1679-1706.
-
[111]
X. Li*, F. He, K. Fu, and W. Liu,
Solvation energy of nonequilibrium polarization: Old question, new answer,
J. Theor. Comput. Chem.
2010,
9,
23-27.
-
[112]
W. Zou, Y. Liu, W. Liu, T. Wang, and J. E. Boggs*,
He@Mo6Cl8F6: A stable complex of Helium,
J. Phys. Chem. A
2010,
114,
646-651.
-
[113]
Y. Zhang, W. Xu, Q. Sun, W. Zou, and W. Liu*,
Excited states of OsO4: A comprehensive time-dependent relativistic density functional theory study,
J. Comput. Chem.
2010,
31,
532-551.
-
[114]
L. Cheng, Y. Xiao, and W. Liu*,
Four-component relativistic theory for nuclear magnetic shielding: Magnetically balanced gauge-including atomic orbitals,
J. Chem. Phys.
2009,
131,
244113.
-
[115]
W. Xu, Y. Zhang, and W. Liu*,
Time-dependent relativistic density functional study of Yb and YbO,
Sci. China Chem.
2009,
52,
1945-1953.
-
[116]
Q. Sun, W. Liu*, Y. Xiao, and L. Cheng,
Exact two-component relativistic theory for nuclear magnetic resonance parameters,
J. Chem. Phys.
2009,
131,
081101.
-
[117]
W. Kutzelnigg* and W. Liu*,
Relativistic theory of nuclear magnetic resonance parameters in a Gaussian basis representation,
J. Chem. Phys.
2009,
131,
044129.
-
[118]
W. Liu* and D. Peng,
Exact two-component Hamiltonians revisited,
J. Chem. Phys.
2009,
131,
031104.
-
[119]
L. Cheng, Y. Xiao, and W. Liu*,
Four-component relativistic theory for NMR parameters: Unified formulation and numerical assessment of different approaches,
J. Chem. Phys.
2009,
130,
144102.
-
[120]
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.