Personal Information
Professor Supervisor of Doctorate Candidates Supervisor of Master's Candidates
Paper Publications
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[21]
X. He,
M. Li,
Ch. R,
D. Zh,
W. Liu,
P. Ayers,
and Sh. Liu*,
Some Recent Advances in Density-Based Reactivity Theory,
J. Phys. Chem. A
2024,
1183-1196.
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[22]
Z. Wang,
C. Wu*,
and W. Liu*,
Toward the Rational Design of Organic Catalysts for Organocatalysed Atom Transfer Radical Polymer...,
Polymers
2024,
16,
323.
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[23]
W. Liu*,
Perspective: Simultaneous treatment of relativity, correlation, and QED,
WIREs Comput Mol Sci.
2023,
13,
e1652.
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[24]
X. Ji,
R. Wang,
H. Wang*,
and W. Liu,
On committor functions in milestoning,
J. Chem. Phys.
2023,
159,
244115.
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[25]
L. Ye,
H. Wang,
Y. Zhang,
Y. Xiao,
and W. Liu*,
Real-Time Time-Dependent Density Functional Theories With Large Time Step and Short Simulation Ti...,
in Comprehensive Computational Chemistry (Elsevier, 2023)
2023,
3,
229-257.
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[26]
X. Wang,
C. Wu,
Z. Wang*,
and W. Liu*,
When do tripdoublet states fluoresce? A theoretical study of copper(II) porphyrin,
Frontiers in Chemistry
2023,
11,
1259016.
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[27]
Y. Guo,
N. Zhang,
and W. Liu*,
SOiCISCF: Combining SOiCI and iCISCF for Variational Treatment of Spin−Orbit Coupling,
J. Chem. Theory Comput.
2023,
19,
6668−6685.
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[28]
X. He,
T. Lu,
C. Rong,
S. Liu*,
P. Ayers*,
and W. Liu*,
Topological analysis of information-theoretic quantities in density functional theory,
J. Chem. Phys.
2023,
159,
054112.
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[29]
R. Wang,
R.Elber,
W. Liu,
and H. Wang*,
Approximating First Hitting Point Distribution in Milestoning for Rare Event Kinetics,
J. Chem. Theory Comput.
2023,
19,
6816−6826.
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[30]
L. Ye,
H. Wang*,
Y. Zhang,
and W. Liu*,
Self-adaptive real-time time-dependent density functional theory for x-ray absorptions,
J. Chem. Phys.
2022,
157,
074106.