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Nanoscale
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January 6, 2025
Mechanism and catalytic activity of the water-gas shift reaction on a single-atom alloy Al<sub>1</sub>/Cu (111) surface
Yun Bai, Dongxu Tian
The Journal of Physical Chemistry. A
|
March 4, 2008
Competition among fcc-like, double-layered flat, tubular cage, and close-packed structural motifs for medium-sized Au n (n = 21-28) clusters
Dongxu Tian, Jijun Zhao
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
December 31, 2013
TDDFT study on intramolecular hydrogen bond of photoexcited methyl salicylate
Peng Qu, Dongxu Tian
Molecules (Basel, Switzerland)
|
November 25, 2023
Computational Design of Ni<sub>6</sub>@Pt<sub>1</sub>M<sub>31</sub> Clusters for Multifunctional Electrocatalysts
Jiaojiao Jia, Dongxu Tian
The Journal of Chemical Physics
|
December 3, 2008
Structural evolution of medium-sized Pd(n) (n=15-25) clusters from density functional theory
Hualei Zhang, Dongxu Tian, Jijun Zhao
Journal of Molecular Modeling
|
January 1, 2013
Dynamic motion of La atom inside the C₇₄ (D₃h) cage: a relativistic DFT study
Dongxu Tian, Suzhen Ren, Ce Hao
Nanoscale
|
May 28, 2026
Machine learning assisted stability and CO<sub>2</sub> reduction reaction activity prediction of single atom alloys
Qiuyan Zhu, Dongxu Tian, Xiaru Du
Journal of Molecular Modeling
|
September 18, 2015
DFT studies on the palladium-catalyzed dearomatization reaction between naphthalene allyl chloride and allyltributylstannane
Wei Cao, Dongxu Tian, Dongxue Han
Journal of Molecular Modeling
|
August 15, 2013
The dynamic motion of a M (M = Ca, Yb) atom inside the C₇₄ (D₃h) cage: a relativistic DFT study
Wei Zheng, Suzhen Ren, Dongxu Tian, et al.
The Journal of Physical Chemistry. A
|
January 19, 2007
Dual relationship between large gold clusters (antifullerenes) and carbon fullerenes: a new lowest-energy cage structure for Au50
Dongxu Tian, Jijun Zhao, Baolin Wang, et al.
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of 3
Search research articles
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Showing results (1-10 of 22) with videos related to
Sort By:
Page
of 3
Nanoscale
|
January 6, 2025
Mechanism and catalytic activity of the water-gas shift reaction on a single-atom alloy Al<sub>1</sub>/Cu (111) surface
Yun Bai, Dongxu Tian
The Journal of Physical Chemistry. A
|
March 4, 2008
Competition among fcc-like, double-layered flat, tubular cage, and close-packed structural motifs for medium-sized Au n (n = 21-28) clusters
Dongxu Tian, Jijun Zhao
Spectrochimica Acta. Part A, Molecular and Biomolecular Spectroscopy
|
December 31, 2013
TDDFT study on intramolecular hydrogen bond of photoexcited methyl salicylate
Peng Qu, Dongxu Tian
Molecules (Basel, Switzerland)
|
November 25, 2023
Computational Design of Ni<sub>6</sub>@Pt<sub>1</sub>M<sub>31</sub> Clusters for Multifunctional Electrocatalysts
Jiaojiao Jia, Dongxu Tian
The Journal of Chemical Physics
|
December 3, 2008
Structural evolution of medium-sized Pd(n) (n=15-25) clusters from density functional theory
Hualei Zhang, Dongxu Tian, Jijun Zhao
Journal of Molecular Modeling
|
January 1, 2013
Dynamic motion of La atom inside the C₇₄ (D₃h) cage: a relativistic DFT study
Dongxu Tian, Suzhen Ren, Ce Hao
Nanoscale
|
May 28, 2026
Machine learning assisted stability and CO<sub>2</sub> reduction reaction activity prediction of single atom alloys
Qiuyan Zhu, Dongxu Tian, Xiaru Du
Journal of Molecular Modeling
|
September 18, 2015
DFT studies on the palladium-catalyzed dearomatization reaction between naphthalene allyl chloride and allyltributylstannane
Wei Cao, Dongxu Tian, Dongxue Han
Journal of Molecular Modeling
|
August 15, 2013
The dynamic motion of a M (M = Ca, Yb) atom inside the C₇₄ (D₃h) cage: a relativistic DFT study
Wei Zheng, Suzhen Ren, Dongxu Tian, et al.
The Journal of Physical Chemistry. A
|
January 19, 2007
Dual relationship between large gold clusters (antifullerenes) and carbon fullerenes: a new lowest-energy cage structure for Au50
Dongxu Tian, Jijun Zhao, Baolin Wang, et al.
Page
of 3