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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
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[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 study,
Chem. Phys.
2009,
356,
219-228.
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[122]
W. Zou* and W. Liu*,
Comprehensive ab initio calculation and simulation on the low-lying excited states of TlX (X = F, Cl, Br, I, and At),
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 balanced basis,
Chem. Phys.
2008,
349,
133-146.
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[124]
J. Deng, N. Song*, W. Liu, Q. Zhou, and Z. Wang,
Towards near-infrared chiroptically switching materials: Theoretical and experimental studies on Viologen-containing 1,1’-Binaphthyls,
ChemPhysChem.
2008,
9,
1265-1269.
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[125]
刘文剑*,
相对论量子化学基本原理及相对论含时密度泛函理论,
《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.
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[126]
D. Peng, W. Liu*, Y. Xiao, and L. Cheng,
Making four- and two-component relativistic density functional methods fully equivalent based on the idea of “from atoms to molecule”,
J. Chem. Phys.
2007,
127,
104106.
-
[127]
刘文剑*,
相对论量子化学新进展,
化学进展
2007,
19,
833-851.
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[128]
S. Lü, W. Liu*, and X. Li,
Ab initio investigation on electron transfer in molecular electronic devices: A minimal model study,
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 of different approaches,
J. Chem. Phys.
2007,
126,
214101.
-
[131]
Y. Xiao, D. Peng, and W. Liu*,
Four-component relativistic theory for nuclear magnetic shielding constants: The orbital decomposition approach,
J. Chem. Phys.
2007,
126,
081101.
-
[132]
W. Zou and W. Liu*,
Theoretical study on the low-lying electronic states of NiH and NiAt,
J. Comput. Chem.
2007,
28,
2286-2298.
-
[133]
W. Kutzelnigg* and W. Liu*,
Response to “Comment on ‘quasirelativistic theory equivalent to fully relativistic theory’ [J. Chem. Phys. 123, 24, (2005), 241102-1-4]”,
J. Chem. Phys.
2006,
125,
107102.
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[134]
W. Kutzelnigg* and W. Liu*,
Quasirelativistic theory. I. Theory in terms of a quasirelativistic operator,
Mol. Phys.
2006,
104,
2225-2240.
-
[135]
W. Liu* and D. Peng,
Infinite-order quasirelativistic density functional method based on the exact matrix quasirelativistic theory,
J. Chem. Phys.
2006,
125,
044102.
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[136]
C. Xiao, N. Yan, M. Zou, S. Hou, Y. Kou*, W. Liu*, and S. Zhang,
NO2 catalyzed deep oxidation of methanol: Experimental and theoretical studies,
J. Mol. Catal. A: Chemical
2006,
252,
202-211.
-
[137]
W. Zou and W. Liu*,
Comprehensive theoretical studies on the low-lying electronic states of NiF, NiCl, NiBr, and NiI,
J. Chem. Phys.
2006,
124,
154312.
-
[138]
W. Kutzelnigg* and W. Liu*,
Quasirelativistic theory equivalent to fully relativistic theory,
J. Chem. Phys.
2005,
123,
241102.
-
[139]
S. Lü, X. Li*, and W. Liu*,
Electronic coupling matrix elements of U-shaped donor-bridge-acceptor molecules and influence of mediated benzene solvent,
Chem. Phys. Lett.
2005,
414,
71-75.
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[140]
D. Peng, W. Zou, and W. Liu*,
Time-dependent quasirelativistic density functional theory based on the zeroth-order regular approximation,
J. Chem. Phys.
2005,
123,
144101.