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Physical Chemistry Chemical Physics : PCCP
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September 12, 2019
Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching
Xiaoliang Pan, Pengfei Li, Junming Ho, et al.
Journal of Chemical Theory and Computation
|
November 9, 2023
Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions
Xiaoliang Pan, Richard Van, Jingzhi Pu, et al.
RSC Advances
|
April 15, 2022
Controllable preparation of one-dimensional Li<sub>1.2</sub>Mn<sub>0.54</sub>Ni<sub>0.13</sub>Co<sub>0.13</sub>O<sub>2</sub> cathode materials for high-performance lithium-ion batteries
Zhi Gao, Jiayi Zhao, Xiaoliang Pan, et al.
The Journal of Chemical Physics
|
January 15, 2021
A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations
Xiaoliang Pan, Kwangho Nam, Evgeny Epifanovsky, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
February 13, 2026
Size-Controlled Synthesis of the V<sub>2</sub>O<sub>5</sub> Hollow Microspheres and Their Size-Dependent Lithium Storage Performance
Zhi Gao, Guosen Xia, Shikun Xie, et al.
RSC Advances
|
May 2, 2022
Li<sub>1.2</sub>Mn<sub>0.54</sub>Ni<sub>0.13</sub>Co<sub>0.13</sub>O<sub>2</sub> nanosheets with porous structure as a high-performance cathode material for lithium-ion batteries
Zhi Gao, Wenliang Sun, Xiaoliang Pan, et al.
The Journal of Physical Chemistry. B
|
June 2, 2022
Accelerating <i>Ab Initio</i> Quantum Mechanical and Molecular Mechanical (QM/MM) Molecular Dynamics Simulations with Multiple Time Step Integration and a Recalibrated Semiempirical QM/MM Hamiltonian
Xiaoliang Pan, Richard Van, Evgeny Epifanovsky, et al.
Journal of Photochemistry and Photobiology. A, Chemistry
|
November 21, 2022
Computational Investigation of Substituent Effects on the Fluorescence Wavelengths of Oxyluciferin Analogs
Vardhan Satalkar, Enrico Benassi, Yuezhi Mao, et al.
The Journal of Organic Chemistry
|
January 31, 2012
Stereoelectronic control in regioselective carbohydrate protection
Hai Dong, Yixuan Zhou, Xiaoliang Pan, et al.
RSC Advances
|
May 13, 2022
Inheritance of spherical morphology and optimization of assembled structures during preparation of LiMnPO<sub>4</sub> cathodes for high electrochemical properties
Xiaoliang Pan, Zhi Gao, Lijun Liu, et al.
Page
of 4
Search research articles
Search
Showing results (11-20 of 37) with videos related to
Sort By:
Page
of 4
Physical Chemistry Chemical Physics : PCCP
|
September 12, 2019
Accelerated computation of free energy profile at ab initio quantum mechanical/molecular mechanical accuracy via a semi-empirical reference potential. II. Recalibrating semi-empirical parameters with force matching
Xiaoliang Pan, Pengfei Li, Junming Ho, et al.
Journal of Chemical Theory and Computation
|
November 9, 2023
Free Energy Profile Decomposition Analysis for QM/MM Simulations of Enzymatic Reactions
Xiaoliang Pan, Richard Van, Jingzhi Pu, et al.
RSC Advances
|
April 15, 2022
Controllable preparation of one-dimensional Li<sub>1.2</sub>Mn<sub>0.54</sub>Ni<sub>0.13</sub>Co<sub>0.13</sub>O<sub>2</sub> cathode materials for high-performance lithium-ion batteries
Zhi Gao, Jiayi Zhao, Xiaoliang Pan, et al.
The Journal of Chemical Physics
|
January 15, 2021
A simplified charge projection scheme for long-range electrostatics in ab initio QM/MM calculations
Xiaoliang Pan, Kwangho Nam, Evgeny Epifanovsky, et al.
Langmuir : the ACS Journal of Surfaces and Colloids
|
February 13, 2026
Size-Controlled Synthesis of the V<sub>2</sub>O<sub>5</sub> Hollow Microspheres and Their Size-Dependent Lithium Storage Performance
Zhi Gao, Guosen Xia, Shikun Xie, et al.
RSC Advances
|
May 2, 2022
Li<sub>1.2</sub>Mn<sub>0.54</sub>Ni<sub>0.13</sub>Co<sub>0.13</sub>O<sub>2</sub> nanosheets with porous structure as a high-performance cathode material for lithium-ion batteries
Zhi Gao, Wenliang Sun, Xiaoliang Pan, et al.
The Journal of Physical Chemistry. B
|
June 2, 2022
Accelerating <i>Ab Initio</i> Quantum Mechanical and Molecular Mechanical (QM/MM) Molecular Dynamics Simulations with Multiple Time Step Integration and a Recalibrated Semiempirical QM/MM Hamiltonian
Xiaoliang Pan, Richard Van, Evgeny Epifanovsky, et al.
Journal of Photochemistry and Photobiology. A, Chemistry
|
November 21, 2022
Computational Investigation of Substituent Effects on the Fluorescence Wavelengths of Oxyluciferin Analogs
Vardhan Satalkar, Enrico Benassi, Yuezhi Mao, et al.
The Journal of Organic Chemistry
|
January 31, 2012
Stereoelectronic control in regioselective carbohydrate protection
Hai Dong, Yixuan Zhou, Xiaoliang Pan, et al.
RSC Advances
|
May 13, 2022
Inheritance of spherical morphology and optimization of assembled structures during preparation of LiMnPO<sub>4</sub> cathodes for high electrochemical properties
Xiaoliang Pan, Zhi Gao, Lijun Liu, et al.
Page
of 4