Dąbrowski, A. Adv. Colloid Interface Sci. 93, 135–224 (2001).
Chen, B. W. J., Xu, L. & Mavrikakis, M. Chem. Rev. 121, 1007–1048 (2021).
Sauer, J. Acc. Chem. Res. 52, 3502–3510 (2019).
Bruix, A., Margraf, J. T., Andersen, M. & Reuter, K. Nat. Catal. 2, 659–670 (2019).
Shi, B. X. et al. Nat. Chem. https://doi.org/10.1038/s41557-025-01884-y (2025).
Becke, A. D. J. Chem. Phys. 98, 1372–1377 (1993).
Shi, B. X. et al. J. Am. Chem. Soc. 145, 25372–25381 (2023).
CAS PubMed PubMed Central Google Scholar
Anderson, J. B. J. Chem. Phys. 63, 1499–1503 (1975).
Motagamwala, A. H. & Dumesic, J. A. Chem. Rev. 121, 1049–1076 (2021).
Raghavachari, K., Trucks, G. W., Pople, J. A. & Head-Gordon, M. Chem. Phys. Lett. 157, 479–483 (1989).
Shi, B. X. et al. J. Chem. Phys. 156, 124704 (2022).
Shi, B. X., Wales, D. J., Michaelides, A. & Myung, C. W. J. Chem. Theory Comput. 20, 5306 (2024).
Chung, L. W. et al. Chem. Rev. 115, 5678–5796 (2015).
Nagy, P. R., Samu, G. & Kállay, M. J. Chem. Theory Comput. 14, 8, 4193–4215 (2018).
Bernstein, N., Kermode, J. R. & Csányi, G. Rep. Prog. Phys. 72, 026501 (2009).
Comments (0)