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Physical Chemistry Chemical Physics : PCCP
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September 2, 2025
Modelling silica using MACE-MP machine learnt interatomic potentials
Jamal Abdul Nasir, Jingcheng Guan, Woongkyu Jee, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
January 16, 2023
Toward a Consistent Prediction of Defect Chemistry in CeO<sub>2</sub>
Xingfan Zhang, Lei Zhu, Qing Hou, et al.
Angewandte Chemie (International Ed. in English)
|
July 28, 2023
Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides
Xingfan Zhang, Taifeng Liu, Lei Zhu, et al.
Journal of the American Chemical Society
|
December 22, 2022
Influence of Solvent on Selective Catalytic Reduction of Nitrogen Oxides with Ammonia over Cu-CHA Zeolite
Jamal Abdul Nasir, Jingcheng Guan, Thomas W Keal, et al.
Frontiers in Chemistry
|
December 31, 2021
The Interplay of Interstitial and Substitutional Copper in Zinc Oxide
Qing Hou, John Buckeridge, Aron Walsh, et al.
Journal of the American Chemical Society
|
June 5, 2024
Environment-Driven Variability in Absolute Band Edge Positions and Work Functions of Reduced Ceria
Xingfan Zhang, Christopher Blackman, Robert G Palgrave, et al.
Journal of the American Chemical Society
|
September 9, 2025
Surface-Driven Electron Localization and Defect Heterogeneity in Ceria
Xingfan Zhang, Akira Yoko, Yi Zhou, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
May 21, 2023
Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems
Jingcheng Guan, You Lu, Kakali Sen, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2023
Multiscale QM/MM modelling of catalytic systems with ChemShell
You Lu, Kakali Sen, Chin Yong, et al.
Page
of 1
Search research articles
Search
Showing results (1-10 of 9) with videos related to
Sort By:
Page
of 1
Physical Chemistry Chemical Physics : PCCP
|
September 2, 2025
Modelling silica using MACE-MP machine learnt interatomic potentials
Jamal Abdul Nasir, Jingcheng Guan, Woongkyu Jee, et al.
Chemistry of Materials : a Publication of the American Chemical Society
|
January 16, 2023
Toward a Consistent Prediction of Defect Chemistry in CeO<sub>2</sub>
Xingfan Zhang, Lei Zhu, Qing Hou, et al.
Angewandte Chemie (International Ed. in English)
|
July 28, 2023
Bulk and Surface Contributions to Ionisation Potentials of Metal Oxides
Xingfan Zhang, Taifeng Liu, Lei Zhu, et al.
Journal of the American Chemical Society
|
December 22, 2022
Influence of Solvent on Selective Catalytic Reduction of Nitrogen Oxides with Ammonia over Cu-CHA Zeolite
Jamal Abdul Nasir, Jingcheng Guan, Thomas W Keal, et al.
Frontiers in Chemistry
|
December 31, 2021
The Interplay of Interstitial and Substitutional Copper in Zinc Oxide
Qing Hou, John Buckeridge, Aron Walsh, et al.
Journal of the American Chemical Society
|
June 5, 2024
Environment-Driven Variability in Absolute Band Edge Positions and Work Functions of Reduced Ceria
Xingfan Zhang, Christopher Blackman, Robert G Palgrave, et al.
Journal of the American Chemical Society
|
September 9, 2025
Surface-Driven Electron Localization and Defect Heterogeneity in Ceria
Xingfan Zhang, Akira Yoko, Yi Zhou, et al.
Philosophical Transactions. Series A, Mathematical, Physical, and Engineering Sciences
|
May 21, 2023
Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems
Jingcheng Guan, You Lu, Kakali Sen, et al.
Physical Chemistry Chemical Physics : PCCP
|
April 25, 2023
Multiscale QM/MM modelling of catalytic systems with ChemShell
You Lu, Kakali Sen, Chin Yong, et al.
Page
of 1