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Articles

First-principles characterisation and comparison of clean, hydrated, and defect α-Al2O3 and α-Fe2O3 (110) surfaces

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Pages 247-263 | Received 16 Apr 2021, Accepted 14 Nov 2021, Published online: 16 Dec 2021

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Chenxi Qu, Shuang Deng, Qi Cheng, Yinchun Jiao, Zilong Tang & Wanqiang Liu. (2022) Theoretical study on aggregation-induced emission of new multi-layer 3D chiral molecules. Molecular Simulation 48:12, pages 1102-1111.
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Abolfazl Alizadeh Sahraei, Dariush Azizi, Abdol Hadi Mokarizadeh, Daria Camilla Boffito & Faïçal Larachi. (2023) Emerging Trends of Computational Chemistry and Molecular Modeling in Froth Flotation: A Review. ACS Engineering Au 3:3, pages 128-164.
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