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Multiscale QM/MM modelling of catalytic systems with ChemShell.
Lu Y, Sen K, Yong C, Gunn DSD, Purton JA, Guan J, Desmoutier A, Abdul Nasir J, Zhang X, Zhu L, Hou Q, Jackson-Masters J, Watts S, Hanson R, Thomas HN, Jayawardena O, Logsdail AJ, Woodley SM, Senn HM, Sherwood P, Catlow CRA, Sokol AA, Keal TW. Lu Y, et al. Among authors: hou q. Phys Chem Chem Phys. 2023 Aug 23;25(33):21816-21835. doi: 10.1039/d3cp00648d. Phys Chem Chem Phys. 2023. PMID: 37097706 Free article. Review.
Toward a Consistent Prediction of Defect Chemistry in CeO2.
Zhang X, Zhu L, Hou Q, Guan J, Lu Y, Keal TW, Buckeridge J, Catlow CRA, Sokol AA. Zhang X, et al. Among authors: hou q. Chem Mater. 2022 Dec 21;35(1):207-227. doi: 10.1021/acs.chemmater.2c03019. eCollection 2023 Jan 10. Chem Mater. 2022. PMID: 36644213 Free PMC article.
Computational infrared and Raman spectra by hybrid QM/MM techniques: a study on molecular and catalytic material systems.
Guan J, Lu Y, Sen K, Abdul Nasir J, Desmoutier AW, Hou Q, Zhang X, Logsdail AJ, Dutta G, Beale AM, Strange RW, Yong C, Sherwood P, Senn HM, Catlow CRA, Keal TW, Sokol AA. Guan J, et al. Among authors: hou q. Philos Trans A Math Phys Eng Sci. 2023 Jul 10;381(2250):20220234. doi: 10.1098/rsta.2022.0234. Epub 2023 May 22. Philos Trans A Math Phys Eng Sci. 2023. PMID: 37211033 Free PMC article.
A broadly applicable protein-polymer adjuvant system for antiviral vaccines.
Wang C, Geng Y, Wang H, Ren Z, Hou Q, Fang A, Wu Q, Wu L, Shi X, Zhou M, Fu ZF, Lovell JF, Jin H, Zhao L. Wang C, et al. Among authors: hou q. EMBO Mol Med. 2024 May 15. doi: 10.1038/s44321-024-00076-4. Online ahead of print. EMBO Mol Med. 2024. PMID: 38750307 Free article.
1,830 results