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Physical Chemistry Chemical Physics : PCCP
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November 14, 2023
Discovery of potential RIPK1 inhibitors by machine learning and molecular dynamics simulations
Ji-Xiang Liu, Ri-Song Na, Lian-Juan Yang, et al.
The Journal of Physical Chemistry. A
|
June 12, 2009
Theoretical study of the C(3P) + trans-C4H8 reaction
Yan Li, Hui-ling Liu, Xu-ri Huang, et al.
Journal of Molecular Modeling
|
October 31, 2012
Direct ab initio study on the rate constants of radical C2(A 3Π(u)) + C3H8 reaction
Rui-Ping Huo, Xiang Zhang, Xu-Ri Huang, et al.
Journal of Computational Chemistry
|
March 13, 2003
Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radical
Jia-Yan Wu, Jing-Yao Liu, Ze-Sheng Li, et al.
The Journal of Physical Chemistry. A
|
July 15, 2006
Theoretical study on stability and properties of NC2O isomers
Guang-Tao Yu, Yi-Hong Ding, Xu-Ri Huang, et al.
The Journal of Physical Chemistry. A
|
January 14, 2012
Mechanism insights of ethane C-H bond activations by bare [Fe(III)═O]+: explicit electronic structure analysis
Xiao-Li Sun, Xu-Ri Huang, Ji-Lai Li, et al.
Journal of Computational Chemistry
|
March 10, 2006
Theoretical study on the [Si, C, N, O] potential energy surface
Guang-Tao Yu, Xu-Ri Huang, Yi-Hong Ding, et al.
The Journal of Chemical Physics
|
July 23, 2004
Si2CN: a stable nitrogen-containing radical with cyclic ground state
Guang-Hui Chen, Yi-Hong Ding, Xu-Ri Huang, et al.
Journal of Biomolecular Structure & Dynamics
|
August 15, 2012
Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the southern house mosquito
Hui Yu, Xi Zhao, Xian-Li Feng, et al.
The Journal of Physical Chemistry. A
|
September 8, 2009
Radical-molecule reaction C(3P) + C3H6: mechanistic study
Yan Li, Hui-ling Liu, Xu-ri Huang, et al.
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of 5
Search research articles
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Showing results (21-30 of 44) with videos related to
Sort By:
Page
of 5
Physical Chemistry Chemical Physics : PCCP
|
November 14, 2023
Discovery of potential RIPK1 inhibitors by machine learning and molecular dynamics simulations
Ji-Xiang Liu, Ri-Song Na, Lian-Juan Yang, et al.
The Journal of Physical Chemistry. A
|
June 12, 2009
Theoretical study of the C(3P) + trans-C4H8 reaction
Yan Li, Hui-ling Liu, Xu-ri Huang, et al.
Journal of Molecular Modeling
|
October 31, 2012
Direct ab initio study on the rate constants of radical C2(A 3Π(u)) + C3H8 reaction
Rui-Ping Huo, Xiang Zhang, Xu-Ri Huang, et al.
Journal of Computational Chemistry
|
March 13, 2003
Dual-level direct dynamics studies for the reactions of dimethyl ether with hydrogen atom and methyl radical
Jia-Yan Wu, Jing-Yao Liu, Ze-Sheng Li, et al.
The Journal of Physical Chemistry. A
|
July 15, 2006
Theoretical study on stability and properties of NC2O isomers
Guang-Tao Yu, Yi-Hong Ding, Xu-Ri Huang, et al.
The Journal of Physical Chemistry. A
|
January 14, 2012
Mechanism insights of ethane C-H bond activations by bare [Fe(III)═O]+: explicit electronic structure analysis
Xiao-Li Sun, Xu-Ri Huang, Ji-Lai Li, et al.
Journal of Computational Chemistry
|
March 10, 2006
Theoretical study on the [Si, C, N, O] potential energy surface
Guang-Tao Yu, Xu-Ri Huang, Yi-Hong Ding, et al.
The Journal of Chemical Physics
|
July 23, 2004
Si2CN: a stable nitrogen-containing radical with cyclic ground state
Guang-Hui Chen, Yi-Hong Ding, Xu-Ri Huang, et al.
Journal of Biomolecular Structure & Dynamics
|
August 15, 2012
Molecular simulations study of ligand-release mechanism in an odorant-binding protein from the southern house mosquito
Hui Yu, Xi Zhao, Xian-Li Feng, et al.
The Journal of Physical Chemistry. A
|
September 8, 2009
Radical-molecule reaction C(3P) + C3H6: mechanistic study
Yan Li, Hui-ling Liu, Xu-ri Huang, et al.
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of 5