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Journal of Biomolecular Structure & Dynamics
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May 5, 2016
Investigations of Takeout proteins' ligand binding and release mechanism using molecular dynamics simulation
Huijing Zhang, Hui Yu, Xi Zhao, et al.
RSC Advances
|
May 6, 2022
Global accurate diabatic potential surfaces for the reaction H + Li<sub>2</sub>
Ruilin Yin, Nan Gao, Jing Cao, et al.
The Journal of Organic Chemistry
|
July 19, 2021
Mechanistic Insight into Pd(II)-Catalyzed Late-Stage Nondirected C(sp<sup>2</sup>)-H Cyanation of Toluene Using the Dual Ligands MPAA and Quinoxaline: A Density Functional Theory Investigation
Chaoyu Zhao, Siwei Yang, Yaxuan Cheng, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 4, 2018
Theoretical insights into the effective hydrogen evolution on Cu<sub>3</sub>P and its evident improvement by surface-doped Ni atoms
Zengsong Zhang, Guangtao Yu, Hui Li, et al.
The Journal of Physical Chemistry. A
|
April 29, 2009
Theoretical investigation of the reaction of CF(3)CHFOCH(3) with OH radical
Hao Sun, Hongwei Gong, Xiumei Pan, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 25, 2013
The effects of the formation of Stone-Wales defects on the electronic and magnetic properties of silicon carbide nanoribbons: a first-principles investigation
Jia Guan, Guangtao Yu, Xiuling Ding, et al.
RSC Advances
|
May 11, 2022
The theoretical chemical calculations clarify the mechanism of beta-alkylation of 1-phenylethanol with benzyl alcohol catalyzed by iron(ii) acetylacetonate methods
Wei Feng, Junfeng Zhao, Aiwen Wei, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 10, 2013
Constructing (super)alkali-boron-heterofullerene dyads: an effective approach to achieve large first hyperpolarizabilities and high stabilities in M3O-BC59 (M = Li, Na and K) and K@n-BC59 (n = 5 and 6)
Chunyun Tu, Guangtao Yu, Guanghui Yang, et al.
RSC Advances
|
May 11, 2022
Theoretical study of substituent effects on electride characteristics and the nonlinear optical properties of Li@calix[4]pyrrole
Hui Weng, Yunyang Teng, Qi Sheng, et al.
RSC Advances
|
May 6, 2022
An accurate ground state potential surface for the scattering reaction F<sup>-</sup> + F<sub>2</sub>(<i>v</i>,<i>j</i>) → F<sub>2</sub>(<i>v</i>',<i>j</i>') + F<sup></sup>
Dequan Wang, Deguo Wang, Liwei Fu, et al.
Page
of 6
Search research articles
Search
Showing results (41-50 of 60) with videos related to
Sort By:
Page
of 6
Journal of Biomolecular Structure & Dynamics
|
May 5, 2016
Investigations of Takeout proteins' ligand binding and release mechanism using molecular dynamics simulation
Huijing Zhang, Hui Yu, Xi Zhao, et al.
RSC Advances
|
May 6, 2022
Global accurate diabatic potential surfaces for the reaction H + Li<sub>2</sub>
Ruilin Yin, Nan Gao, Jing Cao, et al.
The Journal of Organic Chemistry
|
July 19, 2021
Mechanistic Insight into Pd(II)-Catalyzed Late-Stage Nondirected C(sp<sup>2</sup>)-H Cyanation of Toluene Using the Dual Ligands MPAA and Quinoxaline: A Density Functional Theory Investigation
Chaoyu Zhao, Siwei Yang, Yaxuan Cheng, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 4, 2018
Theoretical insights into the effective hydrogen evolution on Cu<sub>3</sub>P and its evident improvement by surface-doped Ni atoms
Zengsong Zhang, Guangtao Yu, Hui Li, et al.
The Journal of Physical Chemistry. A
|
April 29, 2009
Theoretical investigation of the reaction of CF(3)CHFOCH(3) with OH radical
Hao Sun, Hongwei Gong, Xiumei Pan, et al.
Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry
|
June 25, 2013
The effects of the formation of Stone-Wales defects on the electronic and magnetic properties of silicon carbide nanoribbons: a first-principles investigation
Jia Guan, Guangtao Yu, Xiuling Ding, et al.
RSC Advances
|
May 11, 2022
The theoretical chemical calculations clarify the mechanism of beta-alkylation of 1-phenylethanol with benzyl alcohol catalyzed by iron(ii) acetylacetonate methods
Wei Feng, Junfeng Zhao, Aiwen Wei, et al.
Physical Chemistry Chemical Physics : PCCP
|
December 10, 2013
Constructing (super)alkali-boron-heterofullerene dyads: an effective approach to achieve large first hyperpolarizabilities and high stabilities in M3O-BC59 (M = Li, Na and K) and K@n-BC59 (n = 5 and 6)
Chunyun Tu, Guangtao Yu, Guanghui Yang, et al.
RSC Advances
|
May 11, 2022
Theoretical study of substituent effects on electride characteristics and the nonlinear optical properties of Li@calix[4]pyrrole
Hui Weng, Yunyang Teng, Qi Sheng, et al.
RSC Advances
|
May 6, 2022
An accurate ground state potential surface for the scattering reaction F<sup>-</sup> + F<sub>2</sub>(<i>v</i>,<i>j</i>) → F<sub>2</sub>(<i>v</i>',<i>j</i>') + F<sup></sup>
Dequan Wang, Deguo Wang, Liwei Fu, et al.
Page
of 6