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Environment-Driven Variability in Absolute Band Edge Positions and Work Functions of Reduced Ceria Zhang, Xingfan; Blackman, Christopher; Palgrave, Robert G.; Ashraf, Sobia; Dey, Avishek; Blunt, Matthew O.; Zhang, Xu; Liu, Taifeng; Sun, Shijia; Zhu, Lei; Guan, Jingcheng; Lu, You; Keal, Thomas W.; Buckeridge, John; Catlow, C. Richard A.; Sokol, Alexey A. Share Save
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Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems Guan, Jingcheng; Lu, You; Sen, Kakali; Nasir, Jamal Abdul; Desmoutier, Alec W. W.; Hou, Qing; Zhang, Xingfan; Logsdail, Andrew J. J.; Dutta, Gargi; Beale, Andrew M. M.; Strange, Richard W. W.; Yong, Chin; Sherwood, Paul; Senn, Hans M. M.; Catlow, C. Richard A.; Keal, Thomas W. W.; Sokol, Alexey A. A. Share Save
Formation and growth kinetics of the initial amorphous oxide film on the aluminum melt: A ReaxFF molecular dynamics simulation Qian, Junping; Zheng, Peiru; Ma, Yingjie; Zhang, Xingfan; Huang, Jian; Zhang, Di; Li, Zhichao; Jiang, Yanyan; Wu, Weikang; Li, Hui Share Save
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Parallel-Self-Assembling Stack, Center-Capture Effect, and Reactivity-Enhancing Effect of N-Layer (N=1, 2, 3) Cyclo[18]carbon Zheng, Peiru; Zhang, Lishu; Zhang, Xingfan; Ma, Yingjie; Jiang, Yanyan; Li, Hui Share Save
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