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Molecules (Basel, Switzerland)
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December 24, 2021
Deuterium Isotope Effects on Acid-Base Equilibrium of Organic Compounds
Meiyi Liu, Jiali Gao
The Journal of Physical Chemistry. B
|
October 10, 2024
Tutorial on Umbrella Sampling Simulation with a Combined QM/MM Potential: The Potential of Mean Force for an S<sub>N</sub>2 Reaction in Water
Chenyu Liu, Jiali Gao, Meiyi Liu
Journal of Chemical Theory and Computation
|
February 7, 2022
CARNOT: a Fragment-Based Direct Molecular Dynamics and Virtual-Reality Simulation Package for Reactive Systems
Xin Chen, Meiyi Liu, Jiali Gao
Proceedings of the National Academy of Sciences of the United States of America
|
June 7, 2020
Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and hydrophobic interactions
Yingjie Wang, Meiyi Liu, Jiali Gao
Molecules (Basel, Switzerland)
|
October 18, 2018
Dual QM and MM Approach for Computing Equilibrium Isotope Fractionation Factor of Organic Species in Solution
Meiyi Liu, Katelyn N Youmans, Jiali Gao
The Journal of Physical Chemistry Letters
|
October 3, 2018
Diabatic States at Construction (DAC) through Generalized Singular Value Decomposition
Meiyi Liu, Xin Chen, Adam Grofe, et al.
Zhonghua Nei Ke Za Zhi
|
February 16, 2016
[A study of immunocyte subsets and serum cytokine profiles before and after immunal suppression treatment in patients with immune thrombocytopenia]
Wenqian Li, Xiaorui Wang, Jianping Li, et al.
Journal of Chemical Theory and Computation
|
October 26, 2022
Minimal Active Space: NOSCF and NOSI in Multistate Density Functional Theory
Yangyi Lu, Ruoqi Zhao, Jun Zhang, et al.
The Journal of Physical Chemistry Letters
|
March 17, 2023
Excimer Energies
Ruoqi Zhao, Christian Hettich, Jun Zhang, et al.
Israel Journal of Chemistry
|
February 2, 2018
QM/MM through the 1990s: The First Twenty Years of Method Development and Applications
Meiyi Liu, Yingjie Wang, Yakun Chen, et al.
Page
of 4
Search research articles
Search
Showing results (1-10 of 38) with videos related to
Sort By:
Page
of 4
Molecules (Basel, Switzerland)
|
December 24, 2021
Deuterium Isotope Effects on Acid-Base Equilibrium of Organic Compounds
Meiyi Liu, Jiali Gao
The Journal of Physical Chemistry. B
|
October 10, 2024
Tutorial on Umbrella Sampling Simulation with a Combined QM/MM Potential: The Potential of Mean Force for an S<sub>N</sub>2 Reaction in Water
Chenyu Liu, Jiali Gao, Meiyi Liu
Journal of Chemical Theory and Computation
|
February 7, 2022
CARNOT: a Fragment-Based Direct Molecular Dynamics and Virtual-Reality Simulation Package for Reactive Systems
Xin Chen, Meiyi Liu, Jiali Gao
Proceedings of the National Academy of Sciences of the United States of America
|
June 7, 2020
Enhanced receptor binding of SARS-CoV-2 through networks of hydrogen-bonding and hydrophobic interactions
Yingjie Wang, Meiyi Liu, Jiali Gao
Molecules (Basel, Switzerland)
|
October 18, 2018
Dual QM and MM Approach for Computing Equilibrium Isotope Fractionation Factor of Organic Species in Solution
Meiyi Liu, Katelyn N Youmans, Jiali Gao
The Journal of Physical Chemistry Letters
|
October 3, 2018
Diabatic States at Construction (DAC) through Generalized Singular Value Decomposition
Meiyi Liu, Xin Chen, Adam Grofe, et al.
Zhonghua Nei Ke Za Zhi
|
February 16, 2016
[A study of immunocyte subsets and serum cytokine profiles before and after immunal suppression treatment in patients with immune thrombocytopenia]
Wenqian Li, Xiaorui Wang, Jianping Li, et al.
Journal of Chemical Theory and Computation
|
October 26, 2022
Minimal Active Space: NOSCF and NOSI in Multistate Density Functional Theory
Yangyi Lu, Ruoqi Zhao, Jun Zhang, et al.
The Journal of Physical Chemistry Letters
|
March 17, 2023
Excimer Energies
Ruoqi Zhao, Christian Hettich, Jun Zhang, et al.
Israel Journal of Chemistry
|
February 2, 2018
QM/MM through the 1990s: The First Twenty Years of Method Development and Applications
Meiyi Liu, Yingjie Wang, Yakun Chen, et al.
Page
of 4