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Sun, Zhaoxi
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1

Spectroscopic and Computational Study of ZnCl2–Methanol Low..:

Kalhor, Payam ; Sun, Zhaoxi ; Yu, Zhiwu
The Journal of Physical Chemistry B.  128 (2024)  10 - p. 2490-2503 , 2024
Link: https://doi.org/10.1021/..
 
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2

Methodological and force field effects in the molecular dyn..:

Sun, Zhaoxi ; Procacci, Piero
Physical Chemistry Chemical Physics.  26 (2024)  29 - p. 19887-19899 , 2024
Link: https://doi.org/10.1039/..
 
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3

Entanglement Generation of Polar Molecules via Deep Reinfor..:

Zhang, Zuo-Yuan ; Sun, Zhaoxi ; Duan, Tao...
Journal of Chemical Theory and Computation.  , 2024
Link: https://doi.org/10.1021/..
 
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4

A Benchmark Test of High-Throughput Atomistic Modeling for ..:

Wang, Xiaohui ; Huai, Zhe ; Zheng, Lei..
Liquids.  4 (2024)  3 - p. 485-504 , 2024
Link: https://doi.org/10.3390/..
 
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5

Multi-temperature charge scaling of ionic solvents: Dispara..:

Wang, Xiaohui ; Liu, Meili ; Li, Yang...
Journal of Molecular Liquids.  409 (2024)  - p. 125445 , 2024
Link: https://doi.org/10.1016/..
 
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6

HSADab: A comprehensive database for human serum albumin:

Zheng, Lei ; Zeng, Zhaoyi ; Zhao, Yao...
International Journal of Biological Macromolecules.  277 (2024)  - p. 134289 , 2024
Link: https://doi.org/10.1016/..
 
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7

Entropic uncertainty relation and entanglement of molecular..:

Zhang, Zuo-Yuan ; Fang, Yu-Yan ; Li, Jin-Fang...
Chaos, Solitons & Fractals.  186 (2024)  - p. 115220 , 2024
Link: https://doi.org/10.1016/..
 
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8

Quantum gate control of polar molecules with machine learni..:

Zhang, Zuo-Yuan ; Hu, Jie-Ru ; Fang, Yu-Yan...
The Journal of Chemical Physics.  161 (2024)  3 - p. , 2024
Link: https://doi.org/10.1063/..
 
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9

Virtual screening of cucurbituril host-guest complexes: Lar..:

Wang, Xiaohui ; Yang, Huaiyu ; Wang, Mao..
Journal of Molecular Liquids.  407 (2024)  - p. 125245 , 2024
Link: https://doi.org/10.1016/..
 
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10

Screening Power of End-Point Free-Energy Calculations in Cu..:

Liu, Xiao ; Zheng, Lei ; Qin, Chu...
Journal of Chemical Information and Modeling.  63 (2023)  21 - p. 6938-6946 , 2023
Link: https://doi.org/10.1021/..
 
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11

Comprehensive Evaluation of End-Point Free Energy Technique..:

Wang, Xiaohui ; Wang, Mao ; Sun, Zhaoxi
Liquids.  3 (2023)  4 - p. 426-439 , 2023
Link: https://doi.org/10.3390/..
 
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12

Simulation of Grover Search with Polar CH3CN Molecules by O..:

Zhang, Zuo‐Yuan ; Sun, Zhaoxi ; Hu, Jie‐Ru.
Advanced Quantum Technologies.  6 (2023)  4 - p. , 2023
Link: https://doi.org/10.1002/..
 
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13

Chemical accuracy prediction of molecular solvation and par..:

Zhang, Zuo-yuan ; Wang, Xiaohui ; He, Qiaole.
Journal of Molecular Liquids.  391 (2023)  - p. 123202 , 2023
Link: https://doi.org/10.1016/..
 
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14

Molecular Modelling of Ionic Liquids: Situations When Charg..:

Sun, Zhaoxi ; Zheng, Lei ; Zhang, Zuo-Yuan...
Molecules.  28 (2023)  2 - p. 800 , 2023
Link: https://doi.org/10.3390/..
 
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15

Comprehensive Evaluation of End-Point Free Energy Technique..:

Liu, Xiao ; Zheng, Lei ; Qin, Chu...
Molecules.  28 (2023)  6 - p. 2767 , 2023
Link: https://doi.org/10.3390/..
 
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